5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

C26H28FN7O2 — CID 135305038

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 135305038) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 135305038
• Molecular Formula: C26H28FN7O2
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.23
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cccc(F)c1CN1CCCC1
• InChI: InChI=1S/C26H28FN7O2/c1-16-19(17-8-11-34-23(12-17)31-26(28)32-34)13-20(25(30-16)36-2)24(35)29-14-18-6-5-7-22(27)21(18)15-33-9-3-4-10-33/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H2,28,32)(H,29,35)
• InChIKey: WJAUEAVOFICJPQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 110.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	3.36
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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 135305038) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cccc(F)c1CN1CCCC1.

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

The InChIKey is WJAUEAVOFICJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-16-19(17-8-11-34-23(12-17)31-26(28)32-34)13-20(25(30-16)36-2)24(35)29-14-18-6-5-7-22(27)21(18)15-33-9-3-4-10-33/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H2,28,32)(H,29,35).

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.36, 7 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-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135305038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).