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

C36H46Cl2N14O — CID 90016811

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

6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90016811) has the molecular formula C36H46Cl2N14O and a molecular weight of 761.77 g/mol. Its IUPAC name is 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 90016811
• Molecular Formula: C36H46Cl2N14O
• Molecular Weight: 761.77 g/mol
• Exact Mass: 760.34
• IUPAC Name: 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12.Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
• InChI: InChI=1S/C19H24ClN7.C17H22ClN7O/c1-12-15(20)11-14(13-5-6-13)18-21-16(23-27(12)18)7-8-17-22-19(24-25(17)2)26-9-3-4-10-26;1-11-12(18)10-13(26-3)16-19-14(21-25(11)16)6-7-15-20-17(22-23(15)2)24-8-4-5-9-24/h11,13H,3-10H2,1-2H3;10H,4-9H2,1-3H3
• InChIKey: HICQBIKDZXQEMY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 137.51 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.77
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90016811) is 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12.Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.

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

The InChIKey is HICQBIKDZXQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7.C17H22ClN7O/c1-12-15(20)11-14(13-5-6-13)18-21-16(23-27(12)18)7-8-17-22-19(24-25(17)2)26-9-3-4-10-26;1-11-12(18)10-13(26-3)16-19-14(21-25(11)16)6-7-15-20-17(22-23(15)2)24-8-4-5-9-24/h11,13H,3-10H2,1-2H3;10H,4-9H2,1-3H3.

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

6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 761.77 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;6-chloro-8-methoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90016811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).