5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine

C78H78BBrF6N22O15 — CID 164952922

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 164952922) has the molecular formula C78H78BBrF6N22O15 and a molecular weight of 1768.32 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
• PubChem CID: 164952922
• Molecular Formula: C78H78BBrF6N22O15
• Molecular Weight: 1768.32 g/mol
• Exact Mass: 1766.52
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
• SMILES: CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c(=O)n(C)c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)c(=O)n(C)c1.COC(=O)c1cc(Br)c(=O)n(C)c1.Cn1cc(C(=O)O)cc(-c2ccn3nc(N)nc3c2)c1=O
• InChI: InChI=1S/C22H19F3N6O3.C14H13N5O3.C13H11N5O3.C12H17BN4O2.C9H10F3NO.C8H8BrNO3/c1-12(15-5-3-4-6-17(15)34-22(23,24)25)27-19(32)14-9-16(20(33)30(2)11-14)13-7-8-31-18(10-13)28-21(26)29-31;1-18-7-9(13(21)22-2)5-10(12(18)20)8-3-4-19-11(6-8)16-14(15)17-19;1-17-6-8(12(20)21)4-9(11(17)19)7-2-3-18-10(5-7)15-13(14)16-18;1-11(2)12(3,4)19-13(18-11)8-5-6-17-9(7-8)15-10(14)16-17;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-12H,1-2H3,(H2,26,29)(H,27,32);3-7H,1-2H3,(H2,15,17);2-6H,1H3,(H2,14,16)(H,20,21);5-7H,1-4H3,(H2,14,16);2-6H,13H2,1H3;3-4H,1-2H3
• InChIKey: ATZBQNAYFNIVKK-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 494.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1768.32
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 164952922) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c(=O)n(C)c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)c(=O)n(C)c1.COC(=O)c1cc(Br)c(=O)n(C)c1.Cn1cc(C(=O)O)cc(-c2ccn3nc(N)nc3c2)c1=O.

What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The InChIKey is ATZBQNAYFNIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3.C14H13N5O3.C13H11N5O3.C12H17BN4O2.C9H10F3NO.C8H8BrNO3/c1-12(15-5-3-4-6-17(15)34-22(23,24)25)27-19(32)14-9-16(20(33)30(2)11-14)13-7-8-31-18(10-13)28-21(26)29-31;1-18-7-9(13(21)22-2)5-10(12(18)20)8-3-4-19-11(6-8)16-14(15)17-19;1-17-6-8(12(20)21)4-9(11(17)19)7-2-3-18-10(5-7)15-13(14)16-18;1-11(2)12(3,4)19-13(18-11)8-5-6-17-9(7-8)15-10(14)16-17;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-12H,1-2H3,(H2,26,29)(H,27,32);3-7H,1-2H3,(H2,15,17);2-6H,1H3,(H2,14,16)(H,20,21);5-7H,1-4H3,(H2,14,16);2-6H,13H2,1H3;3-4H,1-2H3.

What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine?

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 1768.32 g/mol, XLogP of 8.06, 13 rotatable bonds, 7 hydrogen bond donors, and 35 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)-1-methyl-6-oxopyridine-3-carboxylic acid;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxopyridine-3-carboxylate;methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 164952922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).