potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane

C48H50BClF3KN8O3S2 — CID 160800996

About potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane

potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane (PubChem CID 160800996) has the molecular formula C48H50BClF3KN8O3S2 and a molecular weight of 993.47 g/mol. Its IUPAC name is potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane.

Molecular Properties

• Compound Name: potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
• PubChem CID: 160800996
• Molecular Formula: C48H50BClF3KN8O3S2
• Molecular Weight: 993.47 g/mol
• Exact Mass: 992.28
• IUPAC Name: potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
• SMILES: Cc1ccc(CN2CCCC2)cc1C1=Nc2c(cccc2C(=O)Nc2nccs2)C1.Cc1ccc(Cl)cc1C1=Nc2c(cccc2C(=O)O)C1.FB(F)F.Nc1nccs1.[CH2-]N1CCCC1.[K+]
• InChI: InChI=1S/C24H24N4OS.C16H12ClNO2.C5H10N.C3H4N2S.BF3.K/c1-16-7-8-17(15-28-10-2-3-11-28)13-20(16)21-14-18-5-4-6-19(22(18)26-21)23(29)27-24-25-9-12-30-24;1-9-5-6-11(17)8-13(9)14-7-10-3-2-4-12(16(19)20)15(10)18-14;1-6-4-2-3-5-6;4-3-5-1-2-6-3;2-1(3)4;/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,25,27,29);2-6,8H,7H2,1H3,(H,19,20);1-5H2;1-2H,(H2,4,5);;/q;;-1;;;+1
• InChIKey: WVJASEMTUVWWJU-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 149.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	993.47
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane?

The IUPAC name of potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane (CID 160800996) is potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane.

What is the SMILES notation for potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane?

The canonical SMILES for potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane is Cc1ccc(CN2CCCC2)cc1C1=Nc2c(cccc2C(=O)Nc2nccs2)C1.Cc1ccc(Cl)cc1C1=Nc2c(cccc2C(=O)O)C1.FB(F)F.Nc1nccs1.[CH2-]N1CCCC1.[K+].

What is the InChIKey of potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane?

The InChIKey is WVJASEMTUVWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS.C16H12ClNO2.C5H10N.C3H4N2S.BF3.K/c1-16-7-8-17(15-28-10-2-3-11-28)13-20(16)21-14-18-5-4-6-19(22(18)26-21)23(29)27-24-25-9-12-30-24;1-9-5-6-11(17)8-13(9)14-7-10-3-2-4-12(16(19)20)15(10)18-14;1-6-4-2-3-5-6;4-3-5-1-2-6-3;2-1(3)4;/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,25,27,29);2-6,8H,7H2,1H3,(H,19,20);1-5H2;1-2H,(H2,4,5);;/q;;-1;;;+1.

What are the key properties of potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane?

potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane has a molecular weight of 993.47 g/mol, XLogP of 8.48, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane is sourced from PubChem (CID 160800996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).