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

C24H25ClF3N7O — CID 90017217

About 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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 90017217) has the molecular formula C24H25ClF3N7O and a molecular weight of 519.96 g/mol. Its IUPAC name is 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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 Name: 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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: 90017217
• Molecular Formula: C24H25ClF3N7O
• Molecular Weight: 519.96 g/mol
• Exact Mass: 519.18
• IUPAC Name: 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1ccc(Cn2nc(N3CCCC3)nc2CCc2nc3c(C(F)(F)F)cc(Cl)c(C)n3n2)cc1
• InChI: InChI=1S/C24H25ClF3N7O/c1-15-19(25)13-18(24(26,27)28)22-29-20(31-35(15)22)9-10-21-30-23(33-11-3-4-12-33)32-34(21)14-16-5-7-17(36-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3
• InChIKey: HUSHYTAEERNHIE-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 73.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.96
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 90017217) is 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(Cn2nc(N3CCCC3)nc2CCc2nc3c(C(F)(F)F)cc(Cl)c(C)n3n2)cc1.

What is the InChIKey of 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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 HUSHYTAEERNHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N7O/c1-15-19(25)13-18(24(26,27)28)22-29-20(31-35(15)22)9-10-21-30-23(33-11-3-4-12-33)32-34(21)14-16-5-7-17(36-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3.

What are the key properties of 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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 519.96 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[2-[2-[(4-methoxyphenyl)methyl]-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 90017217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).