5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide

C23H20F4N6O3 — CID 135304985

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 135304985) has the molecular formula C23H20F4N6O3 and a molecular weight of 505.45 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 135304985
• Molecular Formula: C23H20F4N6O3
• Molecular Weight: 505.45 g/mol
• Exact Mass: 505.16
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide
• SMILES: [2H]COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C23H20F4N6O3/c1-11-15(13-6-7-33-19(8-13)31-22(28)32-33)10-17(21(30-11)35-3)20(34)29-12(2)16-9-14(4-5-18(16)24)36-23(25,26)27/h4-10,12H,1-3H3,(H2,28,32)(H,29,34)/i3D
• InChIKey: RRBUDIYSGCQCBZ-WFVSFCRTSA-N
• XLogP: 4.22
• TPSA: 116.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.45
LogP ≤ 5	4.22
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)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide (CID 135304985) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide is [2H]COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.

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

The InChIKey is RRBUDIYSGCQCBZ-WFVSFCRTSA-N. The full InChI is InChI=1S/C23H20F4N6O3/c1-11-15(13-6-7-33-19(8-13)31-22(28)32-33)10-17(21(30-11)35-3)20(34)29-12(2)16-9-14(4-5-18(16)24)36-23(25,26)27/h4-10,12H,1-3H3,(H2,28,32)(H,29,34)/i3D.

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 505.45 g/mol, XLogP of 4.22, 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)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).