1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C126H114F7N17O20S5 — CID 161402054

About 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 161402054) has the molecular formula C126H114F7N17O20S5 and a molecular weight of 2479.72 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• PubChem CID: 161402054
• Molecular Formula: C126H114F7N17O20S5
• Molecular Weight: 2479.72 g/mol
• Exact Mass: 2477.69
• IUPAC Name: 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-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)n2Cc1ccccc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(CN)ccc1F.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3ccccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F
• InChI: InChI=1S/C26H24FN3O4S.2C25H21F2N3O4S.C25H23FN4O4S.C25H25FN4O4S/c1-2-16-9-12-22-20(14-16)23(19-7-5-13-28-25(19)31)24(26(32)29-35(33,34)18-10-11-18)30(22)15-17-6-3-4-8-21(17)27;1-14-4-9-21-19(11-14)22(18-3-2-10-28-24(18)31)23(25(32)29-35(33,34)17-6-7-17)30(21)13-15-12-16(26)5-8-20(15)27;1-14-11-18-21(12-20(14)27)30(13-15-5-2-3-7-19(15)26)23(22(18)17-6-4-10-28-24(17)31)25(32)29-35(33,34)16-8-9-16;1-2-15-7-10-20-19(13-15)21(18-6-4-12-28-24(18)31)22(25(32)29-35(33,34)17-8-9-17)30(20)14-16-5-3-11-27-23(16)26;1-3-15-7-9-21-19(12-15)22(18-5-4-10-28-24(18)31)23(25(32)29-35(2,33)34)30(21)14-17-11-16(13-27)6-8-20(17)26/h3-9,12-14,18H,2,10-11,15H2,1H3,(H,28,31)(H,29,32);2-5,8-12,17H,6-7,13H2,1H3,(H,28,31)(H,29,32);2-7,10-12,16H,8-9,13H2,1H3,(H,28,31)(H,29,32);3-7,10-13,17H,2,8-9,14H2,1H3,(H,28,31)(H,29,32);4-12H,3,13-14,27H2,1-2H3,(H,28,31)(H,29,32)
• InChIKey: VUJAVBYWCSHBSZ-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 544.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2479.72
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 161402054) is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

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

The canonical SMILES for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-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)n2Cc1ccccc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(CN)ccc1F.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3ccccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F.

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

The InChIKey is VUJAVBYWCSHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S.2C25H21F2N3O4S.C25H23FN4O4S.C25H25FN4O4S/c1-2-16-9-12-22-20(14-16)23(19-7-5-13-28-25(19)31)24(26(32)29-35(33,34)18-10-11-18)30(22)15-17-6-3-4-8-21(17)27;1-14-4-9-21-19(11-14)22(18-3-2-10-28-24(18)31)23(25(32)29-35(33,34)17-6-7-17)30(21)13-15-12-16(26)5-8-20(15)27;1-14-11-18-21(12-20(14)27)30(13-15-5-2-3-7-19(15)26)23(22(18)17-6-4-10-28-24(17)31)25(32)29-35(33,34)16-8-9-16;1-2-15-7-10-20-19(13-15)21(18-6-4-12-28-24(18)31)22(25(32)29-35(33,34)17-8-9-17)30(20)14-16-5-3-11-27-23(16)26;1-3-15-7-9-21-19(12-15)22(18-5-4-10-28-24(18)31)23(25(32)29-35(2,33)34)30(21)14-17-11-16(13-27)6-8-20(17)26/h3-9,12-14,18H,2,10-11,15H2,1H3,(H,28,31)(H,29,32);2-5,8-12,17H,6-7,13H2,1H3,(H,28,31)(H,29,32);2-7,10-12,16H,8-9,13H2,1H3,(H,28,31)(H,29,32);3-7,10-13,17H,2,8-9,14H2,1H3,(H,28,31)(H,29,32);4-12H,3,13-14,27H2,1-2H3,(H,28,31)(H,29,32).

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

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 2479.72 g/mol, XLogP of 17.93, 33 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 161402054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).