3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide

C27H22ClFN4O3S — CID 16679201

About 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide

3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 16679201) has the molecular formula C27H22ClFN4O3S and a molecular weight of 537.02 g/mol. Its IUPAC name is 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide
• PubChem CID: 16679201
• Molecular Formula: C27H22ClFN4O3S
• Molecular Weight: 537.02 g/mol
• Exact Mass: 536.11
• IUPAC Name: 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide
• SMILES: Cc1cccc2c1C(CNC(=O)c1ccc(Cl)s1)CN2C(=O)Nc1ccc(-n2ccccc2=O)cc1F
• InChI: InChI=1S/C27H22ClFN4O3S/c1-16-5-4-6-21-25(16)17(14-30-26(35)22-10-11-23(28)37-22)15-33(21)27(36)31-20-9-8-18(13-19(20)29)32-12-3-2-7-24(32)34/h2-13,17H,14-15H2,1H3,(H,30,35)(H,31,36)
• InChIKey: HPBYQIFLCWYJGI-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 83.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.02
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide?

The IUPAC name of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide (CID 16679201) is 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide is Cc1cccc2c1C(CNC(=O)c1ccc(Cl)s1)CN2C(=O)Nc1ccc(-n2ccccc2=O)cc1F.

What is the InChIKey of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide?

The InChIKey is HPBYQIFLCWYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O3S/c1-16-5-4-6-21-25(16)17(14-30-26(35)22-10-11-23(28)37-22)15-33(21)27(36)31-20-9-8-18(13-19(20)29)32-12-3-2-7-24(32)34/h2-13,17H,14-15H2,1H3,(H,30,35)(H,31,36).

What are the key properties of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide?

3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 537.02 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 16679201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).