3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C25H15ClF3N3 — CID 3864258

IUPAC3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1
InChIInChI=1S/C25H15ClF3N3/c26-18-13-11-17(12-14-18)23-22-20(25(27,28)29)15-21(16-7-3-1-4-8-16)30-24(22)32(31-23)19-9-5-2-6-10-19/h1-15H
InChIKeyGRPRGYKCJKYGMQ-UHFFFAOYSA-N
MW449.86 g/mol
LogP7.43
Rot. Bonds3

About 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 3864258) has the molecular formula C25H15ClF3N3 and a molecular weight of 449.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID3864258
Molecular FormulaC25H15ClF3N3
Molecular Weight449.86 g/mol
Exact Mass449.09
IUPAC Name3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1
InChIInChI=1S/C25H15ClF3N3/c26-18-13-11-17(12-14-18)23-22-20(25(27,28)29)15-21(16-7-3-1-4-8-16)30-24(22)32(31-23)19-9-5-2-6-10-19/h1-15H
InChIKeyGRPRGYKCJKYGMQ-UHFFFAOYSA-N
XLogP7.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308185
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17026129
4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
CID 10363697
1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734238
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 3864258) is 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is GRPRGYKCJKYGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N3/c26-18-13-11-17(12-14-18)23-22-20(25(27,28)29)15-21(16-7-3-1-4-8-16)30-24(22)32(31-23)19-9-5-2-6-10-19/h1-15H.
What are the key properties of 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 449.86 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 3864258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).