6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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

C86H78BBrF6N22O11 — CID 164981386

About 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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

6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 164981386) has the molecular formula C86H78BBrF6N22O11 and a molecular weight of 1800.42 g/mol. Its IUPAC name is 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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: 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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: 164981386
• Molecular Formula: C86H78BBrF6N22O11
• Molecular Weight: 1800.42 g/mol
• Exact Mass: 1798.54
• IUPAC Name: 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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)cc2[nH]ccc12)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)cc2[nH]ccc12.COC(=O)c1cc(Br)cc2[nH]ccc12.Nc1nc2cc(-c3cc(C(=O)O)c4cc[nH]c4c3)ccn2n1
• InChI: InChI=1S/C24H19F3N6O2.C16H13N5O2.C15H11N5O2.C12H17BN4O2.C10H8BrNO2.C9H10F3NO/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)18-10-15(11-19-17(18)6-8-29-19)14-7-9-33-21(12-14)31-23(28)32-33;1-23-15(22)12-6-10(7-13-11(12)2-4-18-13)9-3-5-21-14(8-9)19-16(17)20-21;16-15-18-13-7-8(2-4-20(13)19-15)9-5-11(14(21)22)10-1-3-17-12(10)6-9;1-11(2)12(3,4)19-13(18-11)8-5-6-17-9(7-8)15-10(14)16-17;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-13,29H,1H3,(H2,28,32)(H,30,34);2-8,18H,1H3,(H2,17,20);1-7,17H,(H2,16,19)(H,21,22);5-7H,1-4H3,(H2,14,16);2-5,12H,1H3;2-6H,13H2,1H3
• InChIKey: FNQWSGSWLACPLG-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 469.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.42
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 164981386) is 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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)cc2[nH]ccc12)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)cc2[nH]ccc12.COC(=O)c1cc(Br)cc2[nH]ccc12.Nc1nc2cc(-c3cc(C(=O)O)c4cc[nH]c4c3)ccn2n1.

What is the InChIKey of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 FNQWSGSWLACPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2.C16H13N5O2.C15H11N5O2.C12H17BN4O2.C10H8BrNO2.C9H10F3NO/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)18-10-15(11-19-17(18)6-8-29-19)14-7-9-33-21(12-14)31-23(28)32-33;1-23-15(22)12-6-10(7-13-11(12)2-4-18-13)9-3-5-21-14(8-9)19-16(17)20-21;16-15-18-13-7-8(2-4-20(13)19-15)9-5-11(14(21)22)10-1-3-17-12(10)6-9;1-11(2)12(3,4)19-13(18-11)8-5-6-17-9(7-8)15-10(14)16-17;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-13,29H,1H3,(H2,28,32)(H,30,34);2-8,18H,1H3,(H2,17,20);1-7,17H,(H2,16,19)(H,21,22);5-7H,1-4H3,(H2,14,16);2-5,12H,1H3;2-6H,13H2,1H3.

What are the key properties of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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?

6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 1800.42 g/mol, XLogP of 15.19, 13 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylic acid;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide;methyl 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-4-carboxylate;methyl 6-bromo-1H-indole-4-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 164981386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).