2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate

C131H143F10N21O17S5 — CID 158306019

About 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate

2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate (PubChem CID 158306019) has the molecular formula C131H143F10N21O17S5 and a molecular weight of 2634.03 g/mol. Its IUPAC name is 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate.

Molecular Properties

• Compound Name: 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate
• PubChem CID: 158306019
• Molecular Formula: C131H143F10N21O17S5
• Molecular Weight: 2634.03 g/mol
• Exact Mass: 2631.94
• IUPAC Name: 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate
• SMILES: CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3c(F)cc(C4CC4)cc3n2C2CCCCC2)nc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(C4CC4)cc3n2-c2ccccc2)cn1.CC(F)(F)C(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3c(F)cc(C4CC4)cc3n2-c2ncccn2)nc1.COC(=O)c1c(-c2ccc(NS(=O)(=O)C(C)(C)C)nc2)n(C2CCCCC2)c2cc(OCF)c(F)cc12.Cc1nc(NS(=O)(=O)C(C)(C)C)ccc1-c1c(C(N)=O)c2cc(F)c(OC(F)F)cc2n1[C@@H](C)C1CC1
• InChI: InChI=1S/C27H33FN4O3S.C27H27FN4O3S.C26H23F3N6O2S.C26H31F2N3O5S.C25H29F3N4O4S/c1-27(2,3)36(34,35)31-18-11-12-21(30-15-18)25-24(26(29)33)23-20(28)13-17(16-9-10-16)14-22(23)32(25)19-7-5-4-6-8-19;1-27(2,3)36(34,35)31-23-12-11-17(15-30-23)25-24(26(29)33)20-13-21(28)19(16-9-10-16)14-22(20)32(25)18-7-5-4-6-8-18;1-25(2,26(3,28)29)34-38(36,37)17-7-8-20(33-14-17)23-18(13-30)22-19(27)11-16(15-5-6-15)12-21(22)35(23)24-31-9-4-10-32-24;1-26(2,3)37(33,34)30-22-11-10-16(14-29-22)24-23(25(32)35-4)18-12-19(28)21(36-15-27)13-20(18)31(24)17-8-6-5-7-9-17;1-12-15(8-9-20(30-12)31-37(34,35)25(3,4)5)22-21(23(29)33)16-10-17(26)19(36-24(27)28)11-18(16)32(22)13(2)14-6-7-14/h11-16,19,31H,4-10H2,1-3H3,(H2,29,33);4-8,11-16H,9-10H2,1-3H3,(H2,29,33)(H,30,31);4,7-12,14-15,34H,5-6H2,1-3H3;10-14,17H,5-9,15H2,1-4H3,(H,29,30);8-11,13-14,24H,6-7H2,1-5H3,(H2,29,33)(H,30,31)/t;;;;13-/m....0/s1
• InChIKey: GNBZBHWRUBXMMO-GGVKEFNHSA-N
• XLogP: 27.64
• TPSA: 543.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.03
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate?

The IUPAC name of 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate (CID 158306019) is 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate.

What is the SMILES notation for 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate?

The canonical SMILES for 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate is CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3c(F)cc(C4CC4)cc3n2C2CCCCC2)nc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(C4CC4)cc3n2-c2ccccc2)cn1.CC(F)(F)C(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3c(F)cc(C4CC4)cc3n2-c2ncccn2)nc1.COC(=O)c1c(-c2ccc(NS(=O)(=O)C(C)(C)C)nc2)n(C2CCCCC2)c2cc(OCF)c(F)cc12.Cc1nc(NS(=O)(=O)C(C)(C)C)ccc1-c1c(C(N)=O)c2cc(F)c(OC(F)F)cc2n1[C@@H](C)C1CC1.

What is the InChIKey of 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate?

The InChIKey is GNBZBHWRUBXMMO-GGVKEFNHSA-N. The full InChI is InChI=1S/C27H33FN4O3S.C27H27FN4O3S.C26H23F3N6O2S.C26H31F2N3O5S.C25H29F3N4O4S/c1-27(2,3)36(34,35)31-18-11-12-21(30-15-18)25-24(26(29)33)23-20(28)13-17(16-9-10-16)14-22(23)32(25)19-7-5-4-6-8-19;1-27(2,3)36(34,35)31-23-12-11-17(15-30-23)25-24(26(29)33)20-13-21(28)19(16-9-10-16)14-22(20)32(25)18-7-5-4-6-8-18;1-25(2,26(3,28)29)34-38(36,37)17-7-8-20(33-14-17)23-18(13-30)22-19(27)11-16(15-5-6-15)12-21(22)35(23)24-31-9-4-10-32-24;1-26(2,3)37(33,34)30-22-11-10-16(14-29-22)24-23(25(32)35-4)18-12-19(28)21(36-15-27)13-20(18)31(24)17-8-6-5-7-9-17;1-12-15(8-9-20(30-12)31-37(34,35)25(3,4)5)22-21(23(29)33)16-10-17(26)19(36-24(27)28)11-18(16)32(22)13(2)14-6-7-14/h11-16,19,31H,4-10H2,1-3H3,(H2,29,33);4-8,11-16H,9-10H2,1-3H3,(H2,29,33)(H,30,31);4,7-12,14-15,34H,5-6H2,1-3H3;10-14,17H,5-9,15H2,1-4H3,(H,29,30);8-11,13-14,24H,6-7H2,1-5H3,(H2,29,33)(H,30,31)/t;;;;13-/m....0/s1.

What are the key properties of 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate?

2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate has a molecular weight of 2634.03 g/mol, XLogP of 27.64, 34 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(tert-butylsulfonylamino)-2-methyl-3-pyridinyl]-1-[(1S)-1-cyclopropylethyl]-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-cyclopropyl-4-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-6-cyclopropyl-5-fluoro-1-phenylindole-3-carboxamide;6-(3-cyano-6-cyclopropyl-4-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyridine-3-sulfonamide;methyl 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-5-fluoro-6-(fluoromethoxy)indole-3-carboxylate is sourced from PubChem (CID 158306019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).