1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide

C91H90F2N22O6 — CID 159054848

About 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide

1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide (PubChem CID 159054848) has the molecular formula C91H90F2N22O6 and a molecular weight of 1627.88 g/mol. Its IUPAC name is 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide
• PubChem CID: 159054848
• Molecular Formula: C91H90F2N22O6
• Molecular Weight: 1627.88 g/mol
• Exact Mass: 1626.75
• IUPAC Name: 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide
• SMILES: CCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(C)ccc1F.COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(C)c1ccccc1.Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(C)c1ccccc1.[2H]C([2H])(CC(=O)c1cc(-c2ccn3nc(N)nc3c2)cnc1OC)c1cc(C)ccc1F
• InChI: InChI=1S/C23H22FN5O.C23H24N6O2.C23H24N6O.C22H20FN5O2/c1-3-20-18(21(30)7-5-16-10-14(2)4-6-19(16)24)11-17(13-26-20)15-8-9-29-22(12-15)27-23(25)28-29;1-15(16-6-4-3-5-7-16)8-10-25-21(30)19-12-18(14-26-22(19)31-2)17-9-11-29-20(13-17)27-23(24)28-29;1-15(17-6-4-3-5-7-17)8-10-25-22(30)20-12-19(14-26-16(20)2)18-9-11-29-21(13-18)27-23(24)28-29;1-13-3-5-18(23)15(9-13)4-6-19(29)17-10-16(12-25-21(17)30-2)14-7-8-28-20(11-14)26-22(24)27-28/h4,6,8-13H,3,5,7H2,1-2H3,(H2,25,28);3-7,9,11-15H,8,10H2,1-2H3,(H2,24,28)(H,25,30);3-7,9,11-15H,8,10H2,1-2H3,(H2,24,28)(H,25,30);3,5,7-12H,4,6H2,1-2H3,(H2,24,27)/i;;;4D2
• InChIKey: JXSOVGHLNAFKHF-XIAGSRNWSA-N
• XLogP: 14.76
• TPSA: 387.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1627.88
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide?

The IUPAC name of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide (CID 159054848) is 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide.

What is the SMILES notation for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide?

The canonical SMILES for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide is CCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(C)ccc1F.COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(C)c1ccccc1.Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(C)c1ccccc1.[2H]C([2H])(CC(=O)c1cc(-c2ccn3nc(N)nc3c2)cnc1OC)c1cc(C)ccc1F.

What is the InChIKey of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide?

The InChIKey is JXSOVGHLNAFKHF-XIAGSRNWSA-N. The full InChI is InChI=1S/C23H22FN5O.C23H24N6O2.C23H24N6O.C22H20FN5O2/c1-3-20-18(21(30)7-5-16-10-14(2)4-6-19(16)24)11-17(13-26-20)15-8-9-29-22(12-15)27-23(25)28-29;1-15(16-6-4-3-5-7-16)8-10-25-21(30)19-12-18(14-26-22(19)31-2)17-9-11-29-20(13-17)27-23(24)28-29;1-15(17-6-4-3-5-7-17)8-10-25-22(30)20-12-19(14-26-16(20)2)18-9-11-29-21(13-18)27-23(24)28-29;1-13-3-5-18(23)15(9-13)4-6-19(29)17-10-16(12-25-21(17)30-2)14-7-8-28-20(11-14)26-22(24)27-28/h4,6,8-13H,3,5,7H2,1-2H3,(H2,25,28);3-7,9,11-15H,8,10H2,1-2H3,(H2,24,28)(H,25,30);3-7,9,11-15H,8,10H2,1-2H3,(H2,24,28)(H,25,30);3,5,7-12H,4,6H2,1-2H3,(H2,24,27)/i;;;4D2.

What are the key properties of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide?

1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 1627.88 g/mol, XLogP of 14.76, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethyl-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-(3-phenylbutyl)pyridine-3-carboxamide;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-3,3-dideuterio-3-(2-fluoro-5-methylphenyl)propan-1-one;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-N-(3-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 159054848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).