methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate

C22H21N3O3 — CID 135959267

IUPACmethyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
SMILESCOC(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H21N3O3/c1-13-4-5-14(2)19(10-13)25-21-18(12-23-25)17(11-20(26)24-21)15-6-8-16(9-7-15)22(27)28-3/h4-10,12,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyHVMXKCASBLGQBC-QGZVFWFLSA-N
MW375.43 g/mol
LogP3.75
Rot. Bonds3

About methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate

methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate (PubChem CID 135959267) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
PubChem CID135959267
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
SMILESCOC(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H21N3O3/c1-13-4-5-14(2)19(10-13)25-21-18(12-23-25)17(11-20(26)24-21)15-6-8-16(9-7-15)22(27)28-3/h4-10,12,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyHVMXKCASBLGQBC-QGZVFWFLSA-N
XLogP3.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate 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

methyl 4-[(4R)-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136833577
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
CID 169411206
methyl 4-(1-cyclohexyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
CID 169419411
(4S)-1-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833320
methyl 3-(2,5-dimethylphenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 42995949
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4R)-4-(3-bromophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833557
methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136820562
(4S)-1-(3-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759701
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The IUPAC name of methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate (CID 135959267) is methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate.
What is the SMILES notation for methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The canonical SMILES for methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate is COC(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cc(C)ccc2C)cc1.
What is the InChIKey of methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The InChIKey is HVMXKCASBLGQBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-4-5-14(2)19(10-13)25-21-18(12-23-25)17(11-20(26)24-21)15-6-8-16(9-7-15)22(27)28-3/h4-10,12,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate has a molecular weight of 375.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate is sourced from PubChem (CID 135959267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).