N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C33H23FN4O3S — CID 130247893

About N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130247893) has the molecular formula C33H23FN4O3S and a molecular weight of 574.64 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130247893
• Molecular Formula: C33H23FN4O3S
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.15
• IUPAC Name: N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3coc4cccnc34)n1)CC2
• InChI: InChI=1S/C33H23FN4O3S/c1-19-7-4-9-23(34)29(19)37-32(39)28-17-20-14-16-38(26-12-3-2-8-21(26)31(20)42-28)33(40)25-11-5-10-24(36-25)22-18-41-27-13-6-15-35-30(22)27/h2-13,15,17-18H,14,16H2,1H3,(H,37,39)
• InChIKey: UAIMTJHVASOXMN-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130247893) is N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3coc4cccnc34)n1)CC2.

What is the InChIKey of N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is UAIMTJHVASOXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN4O3S/c1-19-7-4-9-23(34)29(19)37-32(39)28-17-20-14-16-38(26-12-3-2-8-21(26)31(20)42-28)33(40)25-11-5-10-24(36-25)22-18-41-27-13-6-15-35-30(22)27/h2-13,15,17-18H,14,16H2,1H3,(H,37,39).

What are the key properties of N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-6-methylphenyl)-6-(6-furo[3,2-b]pyridin-3-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130247893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).