8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C32H30F2N4O3S — CID 149007063

About 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 149007063) has the molecular formula C32H30F2N4O3S and a molecular weight of 588.68 g/mol. Its IUPAC name is 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 149007063
• Molecular Formula: C32H30F2N4O3S
• Molecular Weight: 588.68 g/mol
• Exact Mass: 588.20
• IUPAC Name: 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1cccc(N(C)CC3CCCO3)n1)CC2
• InChI: InChI=1S/C32H30F2N4O3S/c1-19-6-3-8-24(34)29(19)36-31(39)27-16-20-13-14-38(26-17-21(33)11-12-23(26)30(20)42-27)32(40)25-9-4-10-28(35-25)37(2)18-22-7-5-15-41-22/h3-4,6,8-12,16-17,22H,5,7,13-15,18H2,1-2H3,(H,36,39)
• InChIKey: QATULDCUJJRBHX-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.68
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 149007063) is 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1cccc(N(C)CC3CCCO3)n1)CC2.

What is the InChIKey of 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is QATULDCUJJRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N4O3S/c1-19-6-3-8-24(34)29(19)36-31(39)27-16-20-13-14-38(26-17-21(33)11-12-23(26)30(20)42-27)32(40)25-9-4-10-28(35-25)37(2)18-22-7-5-15-41-22/h3-4,6,8-12,16-17,22H,5,7,13-15,18H2,1-2H3,(H,36,39).

What are the key properties of 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 588.68 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-[methyl(oxolan-2-ylmethyl)amino]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 149007063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).