6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C19H21ClF3N7 — CID 72703713

IUPAC6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CC3)nn12
InChIInChI=1S/C19H21ClF3N7/c1-11-14(20)10-13(19(21,22)23)17-24-15(26-29(11)17)6-7-16-25-18(28-8-2-3-9-28)27-30(16)12-4-5-12/h10,12H,2-9H2,1H3
InChIKeyINSBMSXKAQMIQM-UHFFFAOYSA-N
MW439.87 g/mol
LogP4.02
Rot. Bonds5

About 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72703713) has the molecular formula C19H21ClF3N7 and a molecular weight of 439.87 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72703713
Molecular FormulaC19H21ClF3N7
Molecular Weight439.87 g/mol
Exact Mass439.15
IUPAC Name6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CC3)nn12
InChIInChI=1S/C19H21ClF3N7/c1-11-14(20)10-13(19(21,22)23)17-24-15(26-29(11)17)6-7-16-25-18(28-8-2-3-9-28)27-30(16)12-4-5-12/h10,12H,2-9H2,1H3
InChIKeyINSBMSXKAQMIQM-UHFFFAOYSA-N
XLogP4.02
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]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 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 72703713) is 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CC3)nn12.
What is the InChIKey of 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is INSBMSXKAQMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N7/c1-11-14(20)10-13(19(21,22)23)17-24-15(26-29(11)17)6-7-16-25-18(28-8-2-3-9-28)27-30(16)12-4-5-12/h10,12H,2-9H2,1H3.
What are the key properties of 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 439.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72703713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).