1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C27H20F3N3 — CID 23604755

IUPAC1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C27H20F3N3/c1-18-12-14-20(15-13-18)23-16-22(27(28,29)30)24-25(21-10-6-3-7-11-21)32-33(26(24)31-23)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyOEPUOAMGTORDBA-UHFFFAOYSA-N
MW443.47 g/mol
LogP7.14
Rot. Bonds4

About 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 23604755) has the molecular formula C27H20F3N3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID23604755
Molecular FormulaC27H20F3N3
Molecular Weight443.47 g/mol
Exact Mass443.16
IUPAC Name1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C27H20F3N3/c1-18-12-14-20(15-13-18)23-16-22(27(28,29)30)24-25(21-10-6-3-7-11-21)32-33(26(24)31-23)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyOEPUOAMGTORDBA-UHFFFAOYSA-N
XLogP7.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 23604755) is 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(Cc4ccccc4)c3n2)cc1.
What is the InChIKey of 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is OEPUOAMGTORDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3/c1-18-12-14-20(15-13-18)23-16-22(27(28,29)30)24-25(21-10-6-3-7-11-21)32-33(26(24)31-23)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3.
What are the key properties of 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 443.47 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23604755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).