Cas no 145194-32-7 (1H-Pyrazolo[3,4-b]pyridine-1-aceticacid, 3-[4-[2-(dimethylamino)-1-methylethoxy]phenyl]-)
145194-32-7 structure
Product Name:1H-Pyrazolo[3,4-b]pyridine-1-aceticacid, 3-[4-[2-(dimethylamino)-1-methylethoxy]phenyl]-
CAS No:145194-32-7
MF:C19H22N4O3
MW:354.402984142303
CID:161604
PubChem ID:126855
Update Time:2025-04-19
1H-Pyrazolo[3,4-b]pyridine-1-aceticacid, 3-[4-[2-(dimethylamino)-1-methylethoxy]phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazolo[3,4-b]pyridine-1-aceticacid, 3-[4-[2-(dimethylamino)-1-methylethoxy]phenyl]-
- 2-[3-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- 1H-Pyrazolo(3,4-b)pyridine-1-acetic acid, 3-(4-(2-(dimethylamino)-1-methylethoxy)phenyl)-, (+-)-
- 145194-32-7
- [3-(4-{[1-(Dimethylamino)propan-2-yl]oxy}phenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- Y-25510
- 3-(4-(2-Dimethylamino-1-methylethoxy)phenyl)-1H-pyrazolo(3,4-b)pyridine-1-acetic acid
- SCHEMBL9216660
- PD159788
- DTXSID90932523
- Y 25510
- AKOS040754500
-
- Inchi: 1S/C19H22N4O3/c1-13(11-22(2)3)26-15-8-6-14(7-9-15)18-16-5-4-10-20-19(16)23(21-18)12-17(24)25/h4-10,13H,11-12H2,1-3H3,(H,24,25)
- InChI Key: DYLPVOLNSXUKPG-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)C1C2=CC=CN=C2N(CC(=O)O)N=1)C(C)CN(C)C
Computed Properties
- Exact Mass: 354.16936
- Monoisotopic Mass: 354.169191
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 468
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.5
- XLogP3: 0.4
Experimental Properties
- Density: 1.25
- Boiling Point: 567.2°Cat760mmHg
- Flash Point: 296.8°C
- Refractive Index: 1.618
- PSA: 80.48
1H-Pyrazolo[3,4-b]pyridine-1-aceticacid, 3-[4-[2-(dimethylamino)-1-methylethoxy]phenyl]- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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