sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride

C75H67Cl4F3N21NaO12 — CID 159110162

About sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride

sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride (PubChem CID 159110162) has the molecular formula C75H67Cl4F3N21NaO12 and a molecular weight of 1676.29 g/mol. Its IUPAC name is sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride
• PubChem CID: 159110162
• Molecular Formula: C75H67Cl4F3N21NaO12
• Molecular Weight: 1676.29 g/mol
• Exact Mass: 1673.39
• IUPAC Name: sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride
• SMILES: COC(=O)c1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)[nH]c2cc(C3CC3)ccc12.COC(=O)c1c(Cn2cc(C(=O)O)nn2)n(CO)c2cc(C3CC3)ccc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3cc(C4CC4)ccc3c2C(=O)O)nn1.[Na+].[OH-]
• InChI: InChI=1S/C25H21ClFN7O3.C24H19ClFN7O3.C18H18N4O5.C8H7ClFN3.ClH.Na.H2O/c1-37-25(36)21-15-5-4-14(13-2-3-13)8-17(15)30-19(21)10-34-11-20(31-32-34)24(35)28-9-18-23-22(27)16(26)6-7-33(23)12-29-18;25-15-5-6-32-11-28-17(22(32)21(15)26)8-27-23(34)19-10-33(31-30-19)9-18-20(24(35)36)14-4-3-13(12-1-2-12)7-16(14)29-18;1-27-18(26)16-12-5-4-11(10-2-3-10)6-14(12)22(9-23)15(16)8-21-7-13(17(24)25)19-20-21;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;;/h4-8,11-13,30H,2-3,9-10H2,1H3,(H,28,35);3-7,10-12,29H,1-2,8-9H2,(H,27,34)(H,35,36);4-7,10,23H,2-3,8-9H2,1H3,(H,24,25);1-2,4H,3,11H2;1H;;1H2/q;;;;;+1;/p-1
• InChIKey: SBZVBBVMNDGJNG-UHFFFAOYSA-M
• XLogP: 8.02
• TPSA: 442.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1676.29
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride?

The IUPAC name of sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride (CID 159110162) is sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride is COC(=O)c1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)[nH]c2cc(C3CC3)ccc12.COC(=O)c1c(Cn2cc(C(=O)O)nn2)n(CO)c2cc(C3CC3)ccc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3cc(C4CC4)ccc3c2C(=O)O)nn1.[Na+].[OH-].

What is the InChIKey of sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride?

The InChIKey is SBZVBBVMNDGJNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21ClFN7O3.C24H19ClFN7O3.C18H18N4O5.C8H7ClFN3.ClH.Na.H2O/c1-37-25(36)21-15-5-4-14(13-2-3-13)8-17(15)30-19(21)10-34-11-20(31-32-34)24(35)28-9-18-23-22(27)16(26)6-7-33(23)12-29-18;25-15-5-6-32-11-28-17(22(32)21(15)26)8-27-23(34)19-10-33(31-30-19)9-18-20(24(35)36)14-4-3-13(12-1-2-12)7-16(14)29-18;1-27-18(26)16-12-5-4-11(10-2-3-10)6-14(12)22(9-23)15(16)8-21-7-13(17(24)25)19-20-21;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;;/h4-8,11-13,30H,2-3,9-10H2,1H3,(H,28,35);3-7,10-12,29H,1-2,8-9H2,(H,27,34)(H,35,36);4-7,10,23H,2-3,8-9H2,1H3,(H,24,25);1-2,4H,3,11H2;1H;;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride?

sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride has a molecular weight of 1676.29 g/mol, XLogP of 8.02, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid;1-[[6-cyclopropyl-1-(hydroxymethyl)-3-methoxycarbonylindol-2-yl]methyl]triazole-4-carboxylic acid;methyl 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 159110162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).