lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride

C128H147Cl3F2LiN27O17 — CID 159328255

About lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride

lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride (PubChem CID 159328255) has the molecular formula C128H147Cl3F2LiN27O17 and a molecular weight of 2487.05 g/mol. Its IUPAC name is lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride
• PubChem CID: 159328255
• Molecular Formula: C128H147Cl3F2LiN27O17
• Molecular Weight: 2487.05 g/mol
• Exact Mass: 2484.07
• IUPAC Name: lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride
• SMILES: C#CC(=O)OCC.CCC(C)=O.CCOC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1.COC(=O)c1ccc2[nH]c(C)c(C)c2c1.COC(=O)c1ccc2c(c1)c(C)c(C)n2C.Cc1c(C)n(C)c2ccc(CN=[N+]=[N-])cc12.Cc1c(C)n(C)c2ccc(CO)cc12.Cc1c(C)n(C)c2ccc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)cc12.Cc1c(C)n(C)c2ccc(Cn3cc(C(=O)O)nn3)cc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.NNc1ccc(C(=O)O)cc1.O.[Li+].[OH-]
• InChI: InChI=1S/C23H21ClFN7O.C17H20N4O2.C15H16N4O2.C13H15NO2.C12H14N4.C12H13NO2.C12H15NO.C8H7ClFN3.C7H8N2O2.C5H6O2.C4H8O.ClH.Li.2H2O/c1-13-14(2)30(3)20-5-4-15(8-16(13)20)10-32-11-19(28-29-32)23(33)26-9-18-22-21(25)17(24)6-7-31(22)12-27-18;1-5-23-17(22)15-10-21(19-18-15)9-13-6-7-16-14(8-13)11(2)12(3)20(16)4;1-9-10(2)18(3)14-5-4-11(6-12(9)14)7-19-8-13(15(20)21)16-17-19;1-8-9(2)14(3)12-6-5-10(7-11(8)12)13(15)16-4;1-8-9(2)16(3)12-5-4-10(6-11(8)12)7-14-15-13;1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3;1-8-9(2)13(3)12-5-4-10(7-14)6-11(8)12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-9-6-3-1-5(2-4-6)7(10)11;1-3-5(6)7-4-2;1-3-4(2)5;;;;/h4-8,11-12H,9-10H2,1-3H3,(H,26,33);6-8,10H,5,9H2,1-4H3;4-6,8H,7H2,1-3H3,(H,20,21);5-7H,1-4H3;4-6H,7H2,1-3H3;4-6,13H,1-3H3;4-6,14H,7H2,1-3H3;1-2,4H,3,11H2;1-4,9H,8H2,(H,10,11);1H,4H2,2H3;3H2,1-2H3;1H;;2*1H2/q;;;;;;;;;;;;+1;;/p-1
• InChIKey: ZZRUYIUJGJNBIU-UHFFFAOYSA-M
• XLogP: 19.44
• TPSA: 592.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.05
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride?

The IUPAC name of lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride (CID 159328255) is lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride.

What is the SMILES notation for lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride?

The canonical SMILES for lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride is C#CC(=O)OCC.CCC(C)=O.CCOC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1.COC(=O)c1ccc2[nH]c(C)c(C)c2c1.COC(=O)c1ccc2c(c1)c(C)c(C)n2C.Cc1c(C)n(C)c2ccc(CN=[N+]=[N-])cc12.Cc1c(C)n(C)c2ccc(CO)cc12.Cc1c(C)n(C)c2ccc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)cc12.Cc1c(C)n(C)c2ccc(Cn3cc(C(=O)O)nn3)cc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.NNc1ccc(C(=O)O)cc1.O.[Li+].[OH-].

What is the InChIKey of lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride?

The InChIKey is ZZRUYIUJGJNBIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21ClFN7O.C17H20N4O2.C15H16N4O2.C13H15NO2.C12H14N4.C12H13NO2.C12H15NO.C8H7ClFN3.C7H8N2O2.C5H6O2.C4H8O.ClH.Li.2H2O/c1-13-14(2)30(3)20-5-4-15(8-16(13)20)10-32-11-19(28-29-32)23(33)26-9-18-22-21(25)17(24)6-7-31(22)12-27-18;1-5-23-17(22)15-10-21(19-18-15)9-13-6-7-16-14(8-13)11(2)12(3)20(16)4;1-9-10(2)18(3)14-5-4-11(6-12(9)14)7-19-8-13(15(20)21)16-17-19;1-8-9(2)14(3)12-6-5-10(7-11(8)12)13(15)16-4;1-8-9(2)16(3)12-5-4-10(6-11(8)12)7-14-15-13;1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3;1-8-9(2)13(3)12-5-4-10(7-14)6-11(8)12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-9-6-3-1-5(2-4-6)7(10)11;1-3-5(6)7-4-2;1-3-4(2)5;;;;/h4-8,11-12H,9-10H2,1-3H3,(H,26,33);6-8,10H,5,9H2,1-4H3;4-6,8H,7H2,1-3H3,(H,20,21);5-7H,1-4H3;4-6H,7H2,1-3H3;4-6,13H,1-3H3;4-6,14H,7H2,1-3H3;1-2,4H,3,11H2;1-4,9H,8H2,(H,10,11);1H,4H2,2H3;3H2,1-2H3;1H;;2*1H2/q;;;;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride?

lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride has a molecular weight of 2487.05 g/mol, XLogP of 19.44, 22 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-(azidomethyl)-1,2,3-trimethylindole;butan-2-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide;ethyl prop-2-ynoate;ethyl 1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylate;4-hydrazinylbenzoic acid;methyl 2,3-dimethyl-1H-indole-5-carboxylate;methyl 1,2,3-trimethylindole-5-carboxylate;(1,2,3-trimethylindol-5-yl)methanol;1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxylic acid;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 159328255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).