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

C19H16ClN3O2S — CID 135857466

IUPAC4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-10-4-3-5-12(8-10)23-19-17(11(2)22-23)13(9-16(24)21-19)18(25)14-6-7-15(20)26-14/h3-8,13H,9H2,1-2H3,(H,21,24)
InChIKeyRPFNUROHMGVZPC-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.51
Rot. Bonds3

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

4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135857466) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135857466
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-10-4-3-5-12(8-10)23-19-17(11(2)22-23)13(9-16(24)21-19)18(25)14-6-7-15(20)26-14/h3-8,13H,9H2,1-2H3,(H,21,24)
InChIKeyRPFNUROHMGVZPC-UHFFFAOYSA-N
XLogP4.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoyl]-2-methylphenyl]-5-(2-chlorophenyl)thiophene-2-carboxamide
CID 155518052
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
CID 2352148
US9687479, 73 3-(1-benzoyl-5-[(5-chlorothiophen-2-yl)methyl]amino-1H-pyrazol-3-yl)-1-methyl-1,2-dihydropyridin-2-one
CID 133081160
US9687479, 254 3-1-[(4-tert-butylphenyl)carbonyl]-5-[(5-chlorothiophen-2-yl)methyl]amino-1H-pyrazol-3-yl-1-methyl-1,2-dihydropyridin-2-one
CID 133081337
1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]cyclopentane-1-carboxamide
CID 135912432
1-(4-chlorophenyl)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
CID 136605224
4-(5-Chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135986475
1,3-Diphenyl-4-(thiophen-3-YL)-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135620902
3-chloro-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135881075
2-chloro-N-[1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]benzamide
CID 135912407
2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]acetamide
CID 135912430
1-(2,4-Difluorophenyl)-3-methyl-4-(5-methylthiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135986376

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135857466) is 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RPFNUROHMGVZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-10-4-3-5-12(8-10)23-19-17(11(2)22-23)13(9-16(24)21-19)18(25)14-6-7-15(20)26-14/h3-8,13H,9H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 385.88 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophene-2-carbonyl)-3-methyl-1-(3-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135857466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).