N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

C18H15F3N4O — CID 25061132

IUPACN-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C18H15F3N4O/c1-10-2-3-12(16(26)22-13-4-5-13)8-14(10)11-6-7-25-15(9-11)23-24-17(25)18(19,20)21/h2-3,6-9,13H,4-5H2,1H3,(H,22,26)
InChIKeyJRDDHFKFDFPNDF-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.62
Rot. Bonds3

About N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 25061132) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
PubChem CID25061132
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C18H15F3N4O/c1-10-2-3-12(16(26)22-13-4-5-13)8-14(10)11-6-7-25-15(9-11)23-24-17(25)18(19,20)21/h2-3,6-9,13H,4-5H2,1H3,(H,22,26)
InChIKeyJRDDHFKFDFPNDF-UHFFFAOYSA-N
XLogP3.62
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide 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 N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 25061132) is N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The InChIKey is JRDDHFKFDFPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10-2-3-12(16(26)22-13-4-5-13)8-14(10)11-6-7-25-15(9-11)23-24-17(25)18(19,20)21/h2-3,6-9,13H,4-5H2,1H3,(H,22,26).
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 25061132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).