N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C25H20F3N3O4S — CID 56593147

About N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 56593147) has the molecular formula C25H20F3N3O4S and a molecular weight of 515.51 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• PubChem CID: 56593147
• Molecular Formula: C25H20F3N3O4S
• Molecular Weight: 515.51 g/mol
• Exact Mass: 515.11
• IUPAC Name: N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• SMILES: Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F
• InChI: InChI=1S/C25H20F3N3O4S/c1-13-9-18-21(11-20(13)28)31(12-14-10-15(26)4-7-19(14)27)23(22(18)17-3-2-8-29-24(17)32)25(33)30-36(34,35)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33)
• InChIKey: GXKRHWPFLHJAKI-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 101.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 56593147) is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The canonical SMILES for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F.

What is the InChIKey of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The InChIKey is GXKRHWPFLHJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4S/c1-13-9-18-21(11-20(13)28)31(12-14-10-15(26)4-7-19(14)27)23(22(18)17-3-2-8-29-24(17)32)25(33)30-36(34,35)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33).

What are the key properties of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 515.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 56593147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).