3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H18ClN5OS — CID 135621033

IUPAC3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)CC3c2ccsc2)n1
InChIInChI=1S/C22H18ClN5OS/c1-12-9-13(2)25-22(24-12)28-21-19(20(27-28)14-3-5-16(23)6-4-14)17(10-18(29)26-21)15-7-8-30-11-15/h3-9,11,17H,10H2,1-2H3,(H,26,29)
InChIKeyJXOIHSXSXOPYKK-UHFFFAOYSA-N
MW435.94 g/mol
LogP5.14
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135621033) has the molecular formula C22H18ClN5OS and a molecular weight of 435.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135621033
Molecular FormulaC22H18ClN5OS
Molecular Weight435.94 g/mol
Exact Mass435.09
IUPAC Name3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)CC3c2ccsc2)n1
InChIInChI=1S/C22H18ClN5OS/c1-12-9-13(2)25-22(24-12)28-21-19(20(27-28)14-3-5-16(23)6-4-14)17(10-18(29)26-21)15-7-8-30-11-15/h3-9,11,17H,10H2,1-2H3,(H,26,29)
InChIKeyJXOIHSXSXOPYKK-UHFFFAOYSA-N
XLogP5.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-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

3,4-bis(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620987
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621015
1-(4,6-dimethylpyrimidin-2-yl)-3,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620978
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(3-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136920046
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621016
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620727
3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654302
(4S)-3-(4-chlorophenyl)-1-phenyl-4-thiophen-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136910199
4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621021
(4S)-3-(4-chlorophenyl)-1-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678955
(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135880690
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135621033) is 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)CC3c2ccsc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JXOIHSXSXOPYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5OS/c1-12-9-13(2)25-22(24-12)28-21-19(20(27-28)14-3-5-16(23)6-4-14)17(10-18(29)26-21)15-7-8-30-11-15/h3-9,11,17H,10H2,1-2H3,(H,26,29).
What are the key properties of 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 435.94 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135621033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).