6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C39H43Cl2F4N15O — CID 90026869

About 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 90026869) has the molecular formula C39H43Cl2F4N15O and a molecular weight of 884.77 g/mol. Its IUPAC name is 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

• Compound Name: 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
• PubChem CID: 90026869
• Molecular Formula: C39H43Cl2F4N15O
• Molecular Weight: 884.77 g/mol
• Exact Mass: 883.31
• IUPAC Name: 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
• SMILES: COc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1.Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)c(F)c(N)n2n1
• InChI: InChI=1S/C23H25Cl2N7O.C16H18F4N8/c1-15-18(24)13-19(25)22-26-20(29-32(15)22)9-10-21-27-23(30-11-3-4-12-30)31(28-21)14-16-5-7-17(33-2)8-6-16;1-26-11(23-15(25-26)27-6-2-3-7-27)5-4-10-22-12-8-9(16(18,19)20)13(17)14(21)28(12)24-10/h5-8,13H,3-4,9-12,14H2,1-2H3;8H,2-7,21H2,1H3
• InChIKey: ANJZGFQTHAHBBZ-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 163.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.77
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?

The IUPAC name of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 90026869) is 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

What is the SMILES notation for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?

The canonical SMILES for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is COc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1.Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)c(F)c(N)n2n1.

What is the InChIKey of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?

The InChIKey is ANJZGFQTHAHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O.C16H18F4N8/c1-15-18(24)13-19(25)22-26-20(29-32(15)22)9-10-21-27-23(30-11-3-4-12-30)31(28-21)14-16-5-7-17(33-2)8-6-16;1-26-11(23-15(25-26)27-6-2-3-7-27)5-4-10-22-12-8-9(16(18,19)20)13(17)14(21)28(12)24-10/h5-8,13H,3-4,9-12,14H2,1-2H3;8H,2-7,21H2,1H3.

What are the key properties of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?

6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 884.77 g/mol, XLogP of 6.36, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 90026869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).