N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C30H28FN5O4S — CID 58132393

About N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132393) has the molecular formula C30H28FN5O4S and a molecular weight of 573.65 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• PubChem CID: 58132393
• Molecular Formula: C30H28FN5O4S
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.18
• IUPAC Name: N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• SMILES: CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(-c2cnn(C)c2)ccc1F
• InChI: InChI=1S/C30H28FN5O4S/c1-3-18-6-11-26-24(13-18)27(23-5-4-12-32-29(23)37)28(30(38)34-41(39,40)22-8-9-22)36(26)17-20-14-19(7-10-25(20)31)21-15-33-35(2)16-21/h4-7,10-16,22H,3,8-9,17H2,1-2H3,(H,32,37)(H,34,38)
• InChIKey: QFZXHQWEHXVMLP-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 118.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132393) is N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

What is the SMILES notation for N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The canonical SMILES for N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(-c2cnn(C)c2)ccc1F.

What is the InChIKey of N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The InChIKey is QFZXHQWEHXVMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O4S/c1-3-18-6-11-26-24(13-18)27(23-5-4-12-32-29(23)37)28(30(38)34-41(39,40)22-8-9-22)36(26)17-20-14-19(7-10-25(20)31)21-15-33-35(2)16-21/h4-7,10-16,22H,3,8-9,17H2,1-2H3,(H,32,37)(H,34,38).

What are the key properties of N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylsulfonyl-5-ethyl-1-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).