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

C86H79BBrF6LiN22O12 — CID 165084451

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

lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide (PubChem CID 165084451) has the molecular formula C86H79BBrF6LiN22O12 and a molecular weight of 1824.36 g/mol. Its IUPAC name is lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide.

Molecular Properties

• Compound Name: lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide
• PubChem CID: 165084451
• Molecular Formula: C86H79BBrF6LiN22O12
• Molecular Weight: 1824.36 g/mol
• Exact Mass: 1822.56
• IUPAC Name: lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide
• SMILES: CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1.COC(=O)c1cc(Br)c2cc[nH]c2c1.Nc1nc2cc(-c3cc(C(=O)O)cc4[nH]ccc34)ccn2n1.[Li+].[OH-]
• InChI: InChI=1S/C24H19F3N6O2.C16H13N5O2.C15H11N5O2.C12H17BN4O2.C10H8BrNO2.C9H10F3NO.Li.H2O/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)15-10-18(17-6-8-29-19(17)11-15)14-7-9-33-21(12-14)31-23(28)32-33;1-23-15(22)10-6-12(11-2-4-18-13(11)7-10)9-3-5-21-14(8-9)19-16(17)20-21;16-15-18-13-7-8(2-4-20(13)19-15)11-5-9(14(21)22)6-12-10(11)1-3-17-12;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)6-4-8(11)7-2-3-12-9(7)5-6;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;;1H2/q;;;;;;+1;/p-1
• InChIKey: VQPBSDAIZMEUBK-UHFFFAOYSA-M
• XLogP: 12.01
• TPSA: 499.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.36
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide (CID 165084451) is lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide.

What is the SMILES notation for lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide?

The canonical SMILES for lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide is CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccn3nc(N)nc3c2)OC1(C)C.COC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1.COC(=O)c1cc(Br)c2cc[nH]c2c1.Nc1nc2cc(-c3cc(C(=O)O)cc4[nH]ccc34)ccn2n1.[Li+].[OH-].

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

The InChIKey is VQPBSDAIZMEUBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19F3N6O2.C16H13N5O2.C15H11N5O2.C12H17BN4O2.C10H8BrNO2.C9H10F3NO.Li.H2O/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)15-10-18(17-6-8-29-19(17)11-15)14-7-9-33-21(12-14)31-23(28)32-33;1-23-15(22)10-6-12(11-2-4-18-13(11)7-10)9-3-5-21-14(8-9)19-16(17)20-21;16-15-18-13-7-8(2-4-20(13)19-15)11-5-9(14(21)22)6-12-10(11)1-3-17-12;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)6-4-8(11)7-2-3-12-9(7)5-6;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;;1H2/q;;;;;;+1;/p-1.

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

lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide has a molecular weight of 1824.36 g/mol, XLogP of 12.01, 13 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylic acid;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;methyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-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;hydroxide is sourced from PubChem (CID 165084451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).