[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol

C21H19N3O3 — CID 126475794

IUPAC[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol
SMILESCOc1ccc(-c2[nH]nc3nc(-c4cccc(CO)c4)ccc23)cc1OC
InChIInChI=1S/C21H19N3O3/c1-26-18-9-6-15(11-19(18)27-2)20-16-7-8-17(22-21(16)24-23-20)14-5-3-4-13(10-14)12-25/h3-11,25H,12H2,1-2H3,(H,22,23,24)
InChIKeyPOEAQKZHWDSLLI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.80
Rot. Bonds5

About [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol

[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol (PubChem CID 126475794) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol
PubChem CID126475794
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol
SMILESCOc1ccc(-c2[nH]nc3nc(-c4cccc(CO)c4)ccc23)cc1OC
InChIInChI=1S/C21H19N3O3/c1-26-18-9-6-15(11-19(18)27-2)20-16-7-8-17(22-21(16)24-23-20)14-5-3-4-13(10-14)12-25/h3-11,25H,12H2,1-2H3,(H,22,23,24)
InChIKeyPOEAQKZHWDSLLI-UHFFFAOYSA-N
XLogP3.80
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol (CID 126475794) is [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol is COc1ccc(-c2[nH]nc3nc(-c4cccc(CO)c4)ccc23)cc1OC.
What is the InChIKey of [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol?
The InChIKey is POEAQKZHWDSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-18-9-6-15(11-19(18)27-2)20-16-7-8-17(22-21(16)24-23-20)14-5-3-4-13(10-14)12-25/h3-11,25H,12H2,1-2H3,(H,22,23,24).
What are the key properties of [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol?
[3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol has a molecular weight of 361.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 126475794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).