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

C32H26FN5O2S — CID 130248035

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

6-[6-(3-cyclopropylimidazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248035) has the molecular formula C32H26FN5O2S and a molecular weight of 563.66 g/mol. Its IUPAC name is 6-[6-(3-cyclopropylimidazol-4-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-(3-cyclopropylimidazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130248035
• Molecular Formula: C32H26FN5O2S
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.18
• IUPAC Name: 6-[6-(3-cyclopropylimidazol-4-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(-c3cncn3C3CC3)n1)CC2
• InChI: InChI=1S/C32H26FN5O2S/c1-19-6-4-8-23(33)29(19)36-31(39)28-16-20-14-15-37(26-11-3-2-7-22(26)30(20)41-28)32(40)25-10-5-9-24(35-25)27-17-34-18-38(27)21-12-13-21/h2-11,16-18,21H,12-15H2,1H3,(H,36,39)
• InChIKey: XQLOTWHNGHGNCV-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3-cyclopropylimidazol-4-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-(3-cyclopropylimidazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248035) is 6-[6-(3-cyclopropylimidazol-4-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-(3-cyclopropylimidazol-4-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-(3-cyclopropylimidazol-4-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(-c3cncn3C3CC3)n1)CC2.

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

The InChIKey is XQLOTWHNGHGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2S/c1-19-6-4-8-23(33)29(19)36-31(39)28-16-20-14-15-37(26-11-3-2-7-22(26)30(20)41-28)32(40)25-10-5-9-24(35-25)27-17-34-18-38(27)21-12-13-21/h2-11,16-18,21H,12-15H2,1H3,(H,36,39).

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

6-[6-(3-cyclopropylimidazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 563.66 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(3-cyclopropylimidazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130248035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).