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

C22H22ClF3N8 — CID 165414855

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

6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165414855) has the molecular formula C22H22ClF3N8 and a molecular weight of 490.92 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 165414855
• Molecular Formula: C22H22ClF3N8
• Molecular Weight: 490.92 g/mol
• Exact Mass: 490.16
• IUPAC Name: 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1cc(-n2nc(CCc3nc4c(C(F)(F)F)cc(Cl)c(C)n4n3)nc2N2CCCC2)ccn1
• InChI: InChI=1S/C22H22ClF3N8/c1-13-11-15(7-8-27-13)34-21(32-9-3-4-10-32)29-19(31-34)6-5-18-28-20-16(22(24,25)26)12-17(23)14(2)33(20)30-18/h7-8,11-12H,3-6,9-10H2,1-2H3
• InChIKey: OXXMUMIRDOZNOM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 77.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.92
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 165414855) is 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-n2nc(CCc3nc4c(C(F)(F)F)cc(Cl)c(C)n4n3)nc2N2CCCC2)ccn1.

What is the InChIKey of 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is OXXMUMIRDOZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N8/c1-13-11-15(7-8-27-13)34-21(32-9-3-4-10-32)29-19(31-34)6-5-18-28-20-16(22(24,25)26)12-17(23)14(2)33(20)30-18/h7-8,11-12H,3-6,9-10H2,1-2H3.

What are the key properties of 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 490.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165414855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).