5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

C26H24F3N7O3 — CID 151715212

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 151715212) has the molecular formula C26H24F3N7O3 and a molecular weight of 539.52 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 151715212
• Molecular Formula: C26H24F3N7O3
• Molecular Weight: 539.52 g/mol
• Exact Mass: 539.19
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cc(F)ccc1C(=O)N1CCC(F)(F)C1
• InChI: InChI=1S/C26H24F3N7O3/c1-14-19(15-5-7-36-21(10-15)33-25(30)34-36)11-20(23(32-14)39-2)22(37)31-12-16-9-17(27)3-4-18(16)24(38)35-8-6-26(28,29)13-35/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H2,30,34)(H,31,37)
• InChIKey: RHKHCNGGBBHTRP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.52
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 151715212) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cc(F)ccc1C(=O)N1CCC(F)(F)C1.

What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The InChIKey is RHKHCNGGBBHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O3/c1-14-19(15-5-7-36-21(10-15)33-25(30)34-36)11-20(23(32-14)39-2)22(37)31-12-16-9-17(27)3-4-18(16)24(38)35-8-6-26(28,29)13-35/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H2,30,34)(H,31,37).

What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 539.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 151715212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).