6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C34H24ClFN4O2S — CID 130248454

About 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248454) has the molecular formula C34H24ClFN4O2S and a molecular weight of 607.11 g/mol. Its IUPAC name is 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130248454
• Molecular Formula: C34H24ClFN4O2S
• Molecular Weight: 607.11 g/mol
• Exact Mass: 606.13
• IUPAC Name: 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3c[nH]c4ccc(Cl)cc34)n1)CC2
• InChI: InChI=1S/C34H24ClFN4O2S/c1-19-6-4-8-25(36)31(19)39-33(41)30-16-20-14-15-40(29-11-3-2-7-22(29)32(20)43-30)34(42)28-10-5-9-27(38-28)24-18-37-26-13-12-21(35)17-23(24)26/h2-13,16-18,37H,14-15H2,1H3,(H,39,41)
• InChIKey: GZOZHUOUXUPDBG-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.11
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248454) is 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3c[nH]c4ccc(Cl)cc34)n1)CC2.

What is the InChIKey of 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is GZOZHUOUXUPDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24ClFN4O2S/c1-19-6-4-8-25(36)31(19)39-33(41)30-16-20-14-15-40(29-11-3-2-7-22(29)32(20)43-30)34(42)28-10-5-9-27(38-28)24-18-37-26-13-12-21(35)17-23(24)26/h2-13,16-18,37H,14-15H2,1H3,(H,39,41).

What are the key properties of 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 607.11 g/mol, XLogP of 8.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(5-chloro-1H-indol-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130248454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).