(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H19N5O — CID 136882272

IUPAC(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1[C@H](c1nc(C)n3ccccc13)CC(=O)N2
InChIInChI=1S/C21H19N5O/c1-13-19-16(20-17-10-6-7-11-25(17)14(2)22-20)12-18(27)23-21(19)26(24-13)15-8-4-3-5-9-15/h3-11,16H,12H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyXCPVFORVBDEPRM-MRXNPFEDSA-N
MW357.42 g/mol
LogP3.61
Rot. Bonds2

About (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136882272) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136882272
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1[C@H](c1nc(C)n3ccccc13)CC(=O)N2
InChIInChI=1S/C21H19N5O/c1-13-19-16(20-17-10-6-7-11-25(17)14(2)22-20)12-18(27)23-21(19)26(24-13)15-8-4-3-5-9-15/h3-11,16H,12H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyXCPVFORVBDEPRM-MRXNPFEDSA-N
XLogP3.61
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135990272
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
3-methyl-4-(1-methylpyrazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416863
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135493499
4-[1-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135652759
(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698041
(4R)-4-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135850580
14-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 56863575

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136882272) is (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2c1[C@H](c1nc(C)n3ccccc13)CC(=O)N2.
What is the InChIKey of (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XCPVFORVBDEPRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-19-16(20-17-10-6-7-11-25(17)14(2)22-20)12-18(27)23-21(19)26(24-13)15-8-4-3-5-9-15/h3-11,16H,12H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 357.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136882272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).