(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H23N3O4 — CID 136697451

IUPAC(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O
InChIInChI=1S/C23H23N3O4/c1-12-5-7-16(9-13(12)2)26-23-21(14(3)25-26)17(11-20(28)24-23)22(29)15-6-8-18(27)19(10-15)30-4/h5-10,17,27H,11H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyJQNJNTJKRRFZMZ-QGZVFWFLSA-N
MW405.45 g/mol
LogP3.82
Rot. Bonds4

About (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136697451) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136697451
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O
InChIInChI=1S/C23H23N3O4/c1-12-5-7-16(9-13(12)2)26-23-21(14(3)25-26)17(11-20(28)24-23)22(29)15-6-8-18(27)19(10-15)30-4/h5-10,17,27H,11H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyJQNJNTJKRRFZMZ-QGZVFWFLSA-N
XLogP3.82
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-4-(4-ethoxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986307
(4S)-1-(3,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884466
4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986294
1-(3,4-dimethylphenyl)-3-methyl-4-(4-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986284
4-(4-chlorobenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986288
(4S)-4-(3,4-dimethylbenzoyl)-1-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884724
(4R)-1-(3,4-dimethylphenyl)-4-(4-ethylbenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884467
(4S)-4-(3,4-dimethylbenzoyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884708
1-(3,5-dimethylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986483
(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135902007
4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655513
1-(3-chloro-4-methylphenyl)-3-methyl-4-(naphthalene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986256

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136697451) is (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O.
What is the InChIKey of (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JQNJNTJKRRFZMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-12-5-7-16(9-13(12)2)26-23-21(14(3)25-26)17(11-20(28)24-23)22(29)15-6-8-18(27)19(10-15)30-4/h5-10,17,27H,11H2,1-4H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 405.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136697451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).