4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C24H25N3O4 — CID 135986294

IUPAC4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1
InChIInChI=1S/C24H25N3O4/c1-13-9-10-16(11-14(13)2)27-24-21(15(3)26-27)17(12-20(28)25-24)23(29)22-18(30-4)7-6-8-19(22)31-5/h6-11,17H,12H2,1-5H3,(H,25,28)
InChIKeyDQUGFFDCXAQTPY-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.12
Rot. Bonds5

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

4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135986294) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135986294
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1
InChIInChI=1S/C24H25N3O4/c1-13-9-10-16(11-14(13)2)27-24-21(15(3)26-27)17(12-20(28)25-24)23(29)22-18(30-4)7-6-8-19(22)31-5/h6-11,17H,12H2,1-5H3,(H,25,28)
InChIKeyDQUGFFDCXAQTPY-UHFFFAOYSA-N
XLogP4.12
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-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

(4R)-4-(2,6-dimethoxybenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884744
(4S)-1-(3,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884466
(4R)-4-(2,6-dimethoxybenzoyl)-1-(3-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759703
(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
1-(3,4-dimethylphenyl)-3-methyl-4-(4-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986284
1-(3,4-dimethylphenyl)-4-(4-ethoxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986307
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)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884708
(4R)-1-(2,4-difluorophenyl)-4-(2,6-dimethoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884578
(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)-1-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884724
(4S)-1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884541

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135986294) is 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1.
What is the InChIKey of 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DQUGFFDCXAQTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-13-9-10-16(11-14(13)2)27-24-21(15(3)26-27)17(12-20(28)25-24)23(29)22-18(30-4)7-6-8-19(22)31-5/h6-11,17H,12H2,1-5H3,(H,25,28).
What are the key properties of 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 419.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135986294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).