3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C20H17N3O2 — CID 135734250

IUPAC3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1-c1nn(-c2ccccc2)c2[nH]c(=O)cc(C)c12
InChIInChI=1S/C20H17N3O2/c1-13-12-17(24)21-20-18(13)19(15-10-6-7-11-16(15)25-2)22-23(20)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyAKHMPUXQGCBDAB-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.70
Rot. Bonds3

About 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135734250) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135734250
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1-c1nn(-c2ccccc2)c2[nH]c(=O)cc(C)c12
InChIInChI=1S/C20H17N3O2/c1-13-12-17(24)21-20-18(13)19(15-10-6-7-11-16(15)25-2)22-23(20)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyAKHMPUXQGCBDAB-UHFFFAOYSA-N
XLogP3.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734238
4-methyl-6-oxo-1-(1-phenylimidazol-2-yl)-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817811
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817813
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802716
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
4-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 6618949

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135734250) is 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1-c1nn(-c2ccccc2)c2[nH]c(=O)cc(C)c12.
What is the InChIKey of 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AKHMPUXQGCBDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-12-17(24)21-20-18(13)19(15-10-6-7-11-16(15)25-2)22-23(20)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24).
What are the key properties of 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 331.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135734250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).