5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

C27H27FN6O3 — CID 142412296

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 142412296) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 142412296
• Molecular Formula: C27H27FN6O3
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.21
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1c(F)cccc1OC1CC2CCC1C2
• InChI: InChI=1S/C27H27FN6O3/c1-36-26-19(11-18(13-31-26)16-7-8-34-24(12-16)32-27(29)33-34)25(35)30-14-20-21(28)3-2-4-22(20)37-23-10-15-5-6-17(23)9-15/h2-4,7-8,11-13,15,17,23H,5-6,9-10,14H2,1H3,(H2,29,33)(H,30,35)
• InChIKey: IGKAODHZUQWRSI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 116.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	4.02
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-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 142412296) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1c(F)cccc1OC1CC2CCC1C2.

What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is IGKAODHZUQWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-36-26-19(11-18(13-31-26)16-7-8-34-24(12-16)32-27(29)33-34)25(35)30-14-20-21(28)3-2-4-22(20)37-23-10-15-5-6-17(23)9-15/h2-4,7-8,11-13,15,17,23H,5-6,9-10,14H2,1H3,(H2,29,33)(H,30,35).

What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 4.02, 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-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 142412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).