2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C18H16N4O — CID 171910545

IUPAC2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H16N4O/c1-22-11-16-15(9-17(23)20-18(16)21-22)13-6-4-12(5-7-13)14-3-2-8-19-10-14/h2-8,10-11,15H,9H2,1H3,(H,20,21,23)
InChIKeyAPGYPMXPEJUWFD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds2

About 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171910545) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171910545
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H16N4O/c1-22-11-16-15(9-17(23)20-18(16)21-22)13-6-4-12(5-7-13)14-3-2-8-19-10-14/h2-8,10-11,15H,9H2,1H3,(H,20,21,23)
InChIKeyAPGYPMXPEJUWFD-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171389273
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171915522
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911828
1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 18956989
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
3-azulen-6-ylpyridine
CID 86232079
CID 87171293
CID 87171293
4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169421979
(7R)-7-(4-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171910545) is 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is Cn1cc2c(n1)NC(=O)CC2c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is APGYPMXPEJUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22-11-16-15(9-17(23)20-18(16)21-22)13-6-4-12(5-7-13)14-3-2-8-19-10-14/h2-8,10-11,15H,9H2,1H3,(H,20,21,23).
What are the key properties of 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).