[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

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Related Compounds

[3-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 46273446
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 135962688
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
[4-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol
CID 126672848
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 70642714

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).