5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide

C125H105Cl2F9N16O22S5 — CID 159203778

About 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide

5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide (PubChem CID 159203778) has the molecular formula C125H105Cl2F9N16O22S5 and a molecular weight of 2585.53 g/mol. Its IUPAC name is 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
• PubChem CID: 159203778
• Molecular Formula: C125H105Cl2F9N16O22S5
• Molecular Weight: 2585.53 g/mol
• Exact Mass: 2582.54
• IUPAC Name: 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl.Cc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cnc2ccccc2c1Cl.Cc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1F
• InChI: InChI=1S/C27H22ClN3O4S.C26H25F2N3O4S.C25H20F3N3O4S.C24H19F4N3O4S.C23H19ClN4O6S/c1-16-11-12-22-20(13-16)24(19-8-4-6-10-23(19)32)26(27(33)30-36(2,34)35)31(22)15-17-14-29-21-9-5-3-7-18(21)25(17)28;1-26(2,3)16-7-10-21-19(13-16)22(18-6-5-11-29-24(18)32)23(25(33)30-36(4,34)35)31(21)14-15-12-17(27)8-9-20(15)28;1-13-9-18-21(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;1-13-5-3-6-14(20(13)25)12-31-18-9-8-15(24(26,27)28)11-17(18)19(16-7-4-10-29-22(16)32)21(31)23(33)30-36(2,34)35;1-13-5-8-19-17(10-13)20(16-4-3-9-25-22(16)29)21(23(30)26-35(2,33)34)27(19)12-14-11-15(28(31)32)6-7-18(14)24/h3-9,11-14H,10,15H2,1-2H3,(H,30,33);5-13H,14H2,1-4H3,(H,29,32)(H,30,33);2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33);3-11H,12H2,1-2H3,(H,29,32)(H,30,33);3-11H,12H2,1-2H3,(H,25,29)(H,26,30)
• InChIKey: KPPRCUGANYPIRC-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 545.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.53
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The IUPAC name of 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide (CID 159203778) is 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The canonical SMILES for 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide is CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl.Cc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cnc2ccccc2c1Cl.Cc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1F.

What is the InChIKey of 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The InChIKey is KPPRCUGANYPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O4S.C26H25F2N3O4S.C25H20F3N3O4S.C24H19F4N3O4S.C23H19ClN4O6S/c1-16-11-12-22-20(13-16)24(19-8-4-6-10-23(19)32)26(27(33)30-36(2,34)35)31(22)15-17-14-29-21-9-5-3-7-18(21)25(17)28;1-26(2,3)16-7-10-21-19(13-16)22(18-6-5-11-29-24(18)32)23(25(33)30-36(4,34)35)31(21)14-15-12-17(27)8-9-20(15)28;1-13-9-18-21(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;1-13-5-3-6-14(20(13)25)12-31-18-9-8-15(24(26,27)28)11-17(18)19(16-7-4-10-29-22(16)32)21(31)23(33)30-36(2,34)35;1-13-5-8-19-17(10-13)20(16-4-3-9-25-22(16)29)21(23(30)26-35(2,33)34)27(19)12-14-11-15(28(31)32)6-7-18(14)24/h3-9,11-14H,10,15H2,1-2H3,(H,30,33);5-13H,14H2,1-4H3,(H,29,32)(H,30,33);2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33);3-11H,12H2,1-2H3,(H,29,32)(H,30,33);3-11H,12H2,1-2H3,(H,25,29)(H,26,30).

What are the key properties of 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 2585.53 g/mol, XLogP of 20.91, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-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;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 159203778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).