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

C34H24FN3O3S — CID 130247917

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

6-[6-(1-benzofuran-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130247917) has the molecular formula C34H24FN3O3S and a molecular weight of 573.65 g/mol. Its IUPAC name is 6-[6-(1-benzofuran-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-(1-benzofuran-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130247917
• Molecular Formula: C34H24FN3O3S
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.15
• IUPAC Name: 6-[6-(1-benzofuran-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(-c3coc4ccccc34)n1)CC2
• InChI: InChI=1S/C34H24FN3O3S/c1-20-8-6-11-25(35)31(20)37-33(39)30-18-21-16-17-38(28-14-4-2-10-23(28)32(21)42-30)34(40)27-13-7-12-26(36-27)24-19-41-29-15-5-3-9-22(24)29/h2-15,18-19H,16-17H2,1H3,(H,37,39)
• InChIKey: ZCTWMODAQPSFJE-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-benzofuran-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-(1-benzofuran-3-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130247917) is 6-[6-(1-benzofuran-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-(1-benzofuran-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-(1-benzofuran-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(-c3coc4ccccc34)n1)CC2.

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

The InChIKey is ZCTWMODAQPSFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3O3S/c1-20-8-6-11-25(35)31(20)37-33(39)30-18-21-16-17-38(28-14-4-2-10-23(28)32(21)42-30)34(40)27-13-7-12-26(36-27)24-19-41-29-15-5-3-9-22(24)29/h2-15,18-19H,16-17H2,1H3,(H,37,39).

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

6-[6-(1-benzofuran-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 573.65 g/mol, XLogP of 8.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-benzofuran-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 130247917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).