[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C17H12ClF3N6O — CID 118893959

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2nnn(-c3ncc[nH]3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H12ClF3N6O/c1-9-14-12(27(25-24-14)16-22-6-7-23-16)5-8-26(9)15(28)10-3-2-4-11(13(10)18)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyBKDIOQHRWGDJCV-UHFFFAOYSA-N
MW408.77 g/mol
LogP3.85
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 118893959) has the molecular formula C17H12ClF3N6O and a molecular weight of 408.77 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID118893959
Molecular FormulaC17H12ClF3N6O
Molecular Weight408.77 g/mol
Exact Mass408.07
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2nnn(-c3ncc[nH]3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H12ClF3N6O/c1-9-14-12(27(25-24-14)16-22-6-7-23-16)5-8-26(9)15(28)10-3-2-4-11(13(10)18)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyBKDIOQHRWGDJCV-UHFFFAOYSA-N
XLogP3.85
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone 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 [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 118893959) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC1c2nnn(-c3ncc[nH]3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BKDIOQHRWGDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O/c1-9-14-12(27(25-24-14)16-22-6-7-23-16)5-8-26(9)15(28)10-3-2-4-11(13(10)18)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 408.77 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-imidazol-2-yl)-4-methyl-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 118893959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).