(3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid

C52H44Cl2F2N10O7S2 — CID 158140031

About (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid

(3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 158140031) has the molecular formula C52H44Cl2F2N10O7S2 and a molecular weight of 1094.02 g/mol. Its IUPAC name is (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 158140031
• Molecular Formula: C52H44Cl2F2N10O7S2
• Molecular Weight: 1094.02 g/mol
• Exact Mass: 1092.22
• IUPAC Name: (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
• SMILES: Cc1cnc2c(S(N)(=O)=O)cc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc2c1.Cc1cnc2c(S(N)(=O)=O)cc(Cc3cc(C(=O)O)ccn3)cc2c1.NCc1cc2c(Cl)c[nH]c2cc1F
• InChI: InChI=1S/C26H21ClFN5O3S.C17H15N3O4S.C9H8ClFN2/c1-14-4-17-5-15(7-24(37(29,35)36)25(17)32-11-14)6-19-8-16(2-3-30-19)26(34)33-12-18-9-20-21(27)13-31-23(20)10-22(18)28;1-10-4-13-5-11(6-14-8-12(17(21)22)2-3-19-14)7-15(25(18,23)24)16(13)20-9-10;10-7-4-13-9-2-8(11)5(3-12)1-6(7)9/h2-5,7-11,13,31H,6,12H2,1H3,(H,33,34)(H2,29,35,36);2-5,7-9H,6H2,1H3,(H,21,22)(H2,18,23,24);1-2,4,13H,3,12H2
• InChIKey: FTUYXTILDCIVHI-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 295.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1094.02
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?

The IUPAC name of (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid (CID 158140031) is (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?

The canonical SMILES for (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid is Cc1cnc2c(S(N)(=O)=O)cc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc2c1.Cc1cnc2c(S(N)(=O)=O)cc(Cc3cc(C(=O)O)ccn3)cc2c1.NCc1cc2c(Cl)c[nH]c2cc1F.

What is the InChIKey of (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?

The InChIKey is FTUYXTILDCIVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O3S.C17H15N3O4S.C9H8ClFN2/c1-14-4-17-5-15(7-24(37(29,35)36)25(17)32-11-14)6-19-8-16(2-3-30-19)26(34)33-12-18-9-20-21(27)13-31-23(20)10-22(18)28;1-10-4-13-5-11(6-14-8-12(17(21)22)2-3-19-14)7-15(25(18,23)24)16(13)20-9-10;10-7-4-13-9-2-8(11)5(3-12)1-6(7)9/h2-5,7-11,13,31H,6,12H2,1H3,(H,33,34)(H2,29,35,36);2-5,7-9H,6H2,1H3,(H,21,22)(H2,18,23,24);1-2,4,13H,3,12H2.

What are the key properties of (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?

(3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 1094.02 g/mol, XLogP of 8.67, 11 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-6-fluoro-1H-indol-5-yl)methanamine;N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158140031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).