1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C14H9ClF3N3O — CID 135734244

IUPAC1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2Cl)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9ClF3N3O/c1-7-12-8(14(16,17)18)6-11(22)19-13(12)21(20-7)10-5-3-2-4-9(10)15/h2-6H,1H3,(H,19,22)
InChIKeyRKFOEOZLBAHLIA-UHFFFAOYSA-N
MW327.69 g/mol
LogP3.69
Rot. Bonds1

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

1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135734244) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135734244
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2Cl)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9ClF3N3O/c1-7-12-8(14(16,17)18)6-11(22)19-13(12)21(20-7)10-5-3-2-4-9(10)15/h2-6H,1H3,(H,19,22)
InChIKeyRKFOEOZLBAHLIA-UHFFFAOYSA-N
XLogP3.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bay 73-6691
CID 135541419
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
BAY 73-6691 racemate
CID 135495130
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 21
CID 135402927
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10j
CID 135402918
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521595
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10d
CID 135402913
N-(1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11624955
1-[5-tert-Butyl-2-(3-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 24968751

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135734244) is 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2Cl)c2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RKFOEOZLBAHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c1-7-12-8(14(16,17)18)6-11(22)19-13(12)21(20-7)10-5-3-2-4-9(10)15/h2-6H,1H3,(H,19,22).
What are the key properties of 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 327.69 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135734244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).