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

C14H10F3N3O — CID 135491988

IUPAC3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-10(14(15,16)17)7-11(21)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21)
InChIKeyOHDNJHMRIZHSHL-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.04
Rot. Bonds1

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

3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135491988) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135491988
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-10(14(15,16)17)7-11(21)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21)
InChIKeyOHDNJHMRIZHSHL-UHFFFAOYSA-N
XLogP3.04
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ML297
CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135491988) is 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OHDNJHMRIZHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-12-10(14(15,16)17)7-11(21)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21).
What are the key properties of 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 293.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135491988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).