3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H16F6N4O — CID 134798880

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C19H16F6N4O/c1-10(2)8-26-17(30)11-3-4-15-27-28-16(29(15)9-11)12-5-13(18(20,21)22)7-14(6-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,26,30)
InChIKeyWBWPVEBFEKJVOV-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.82
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134798880) has the molecular formula C19H16F6N4O and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134798880
Molecular FormulaC19H16F6N4O
Molecular Weight430.35 g/mol
Exact Mass430.12
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C19H16F6N4O/c1-10(2)8-26-17(30)11-3-4-15-27-28-16(29(15)9-11)12-5-13(18(20,21)22)7-14(6-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,26,30)
InChIKeyWBWPVEBFEKJVOV-UHFFFAOYSA-N
XLogP4.82
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide 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 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134798880) is 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)CNC(=O)c1ccc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WBWPVEBFEKJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O/c1-10(2)8-26-17(30)11-3-4-15-27-28-16(29(15)9-11)12-5-13(18(20,21)22)7-14(6-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,26,30).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134798880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).