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

C19H12F3N3O — CID 135734238

IUPAC1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)14-11-15(26)23-18-16(14)17(12-7-3-1-4-8-12)24-25(18)13-9-5-2-6-10-13/h1-11H,(H,23,26)
InChIKeySAYNOZQFDSIVSJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.40
Rot. Bonds2

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

1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135734238) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135734238
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)14-11-15(26)23-18-16(14)17(12-7-3-1-4-8-12)24-25(18)13-9-5-2-6-10-13/h1-11H,(H,23,26)
InChIKeySAYNOZQFDSIVSJ-UHFFFAOYSA-N
XLogP4.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734250
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one;hydrobromide
CID 135576692
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137048885
2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
CID 10622967
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 22575910
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
CID 126057753
3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308185
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135734238) is 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is O=c1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]1.
What is the InChIKey of 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SAYNOZQFDSIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)14-11-15(26)23-18-16(14)17(12-7-3-1-4-8-12)24-25(18)13-9-5-2-6-10-13/h1-11H,(H,23,26).
What are the key properties of 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.32 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135734238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).