(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H19N3O3 — CID 136884713

IUPAC(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C23H19N3O3/c1-13-6-5-8-16(10-13)26-23-21(14(2)25-26)17(12-20(27)24-23)22(28)19-11-15-7-3-4-9-18(15)29-19/h3-11,17H,12H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyCCFHAKDHFLAZPK-QGZVFWFLSA-N
MW385.42 g/mol
LogP4.54
Rot. Bonds3

About (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136884713) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136884713
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C23H19N3O3/c1-13-6-5-8-16(10-13)26-23-21(14(2)25-26)17(12-20(27)24-23)22(28)19-11-15-7-3-4-9-18(15)29-19/h3-11,17H,12H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyCCFHAKDHFLAZPK-QGZVFWFLSA-N
XLogP4.54
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136860080
(4S)-4-(1-benzofuran-2-carbonyl)-1-(2,3-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884626
(4R)-4-(1-benzofuran-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884580
(4S)-4-(1-benzofuran-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884579
(4S)-4-(3,4-dimethylbenzoyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884708
(4R)-4-(4-bromobenzoyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884709
4-(2-chlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986264
1-(3-chlorophenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986276
4-(3-chlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986485
(4R)-1-(3-ethylphenyl)-3-methyl-4-(4-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884646
(4R)-4-(2,4-dimethylbenzoyl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884341
(4S)-4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759722

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136884713) is (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CCFHAKDHFLAZPK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-13-6-5-8-16(10-13)26-23-21(14(2)25-26)17(12-20(27)24-23)22(28)19-11-15-7-3-4-9-18(15)29-19/h3-11,17H,12H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 385.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136884713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).