2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C114H113F24N23O14S5 — CID 161389540

About 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 161389540) has the molecular formula C114H113F24N23O14S5 and a molecular weight of 2645.59 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 161389540
• Molecular Formula: C114H113F24N23O14S5
• Molecular Weight: 2645.59 g/mol
• Exact Mass: 2643.71
• IUPAC Name: 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)cc1.CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCC2)nc1)C(F)(F)F.Cc1nc2c(cc1C(F)(F)F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCC2)c2ncc(C(F)(F)F)cc12
• InChI: InChI=1S/C23H21F6N5O3S.C23H23F6N5O3S.2C23H25F3N4O3S.C22H19F6N5O2S/c24-22(25,26)12-9-15-17(19(30)35)18(34(20(15)32-10-12)13-3-1-2-4-13)16-6-5-14(11-31-16)38(36,37)33-21(7-8-21)23(27,28)29;1-21(2,23(27,28)29)33-38(36,37)14-7-8-16(31-11-14)18-17(19(30)35)15-9-12(22(24,25)26)10-32-20(15)34(18)13-5-3-4-6-13;1-22(2,3)34(32,33)29-15-9-7-13(8-10-15)19-18(20(27)31)17-11-14(23(24,25)26)12-28-21(17)30(19)16-5-4-6-16;1-22(2,3)29-34(32,33)16-9-7-13(8-10-16)19-18(20(27)31)17-11-14(23(24,25)26)12-28-21(17)30(19)15-5-4-6-15;1-11-17(22(26,27)28)8-15-16(9-29)19(33(20(15)31-11)13-4-3-5-13)18-7-6-14(10-30-18)36(34,35)32-12(2)21(23,24)25/h5-6,9-11,13,33H,1-4,7-8H2,(H2,30,35);7-11,13,33H,3-6H2,1-2H3,(H2,30,35);7-12,16,29H,4-6H2,1-3H3,(H2,27,31);7-12,15,29H,4-6H2,1-3H3,(H2,27,31);6-8,10,12-13,32H,3-5H2,1-2H3/t;;;;12-/m....0/s1
• InChIKey: VSUMCDQIXBPOSU-RQZVNLNJSA-N
• XLogP: 24.61
• TPSA: 554.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.59
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 161389540) is 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)cc1.CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCC2)nc1)C(F)(F)F.Cc1nc2c(cc1C(F)(F)F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCC2)c2ncc(C(F)(F)F)cc12.

What is the InChIKey of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is VSUMCDQIXBPOSU-RQZVNLNJSA-N. The full InChI is InChI=1S/C23H21F6N5O3S.C23H23F6N5O3S.2C23H25F3N4O3S.C22H19F6N5O2S/c24-22(25,26)12-9-15-17(19(30)35)18(34(20(15)32-10-12)13-3-1-2-4-13)16-6-5-14(11-31-16)38(36,37)33-21(7-8-21)23(27,28)29;1-21(2,23(27,28)29)33-38(36,37)14-7-8-16(31-11-14)18-17(19(30)35)15-9-12(22(24,25)26)10-32-20(15)34(18)13-5-3-4-6-13;1-22(2,3)34(32,33)29-15-9-7-13(8-10-15)19-18(20(27)31)17-11-14(23(24,25)26)12-28-21(17)30(19)16-5-4-6-16;1-22(2,3)29-34(32,33)16-9-7-13(8-10-16)19-18(20(27)31)17-11-14(23(24,25)26)12-28-21(17)30(19)15-5-4-6-15;1-11-17(22(26,27)28)8-15-16(9-29)19(33(20(15)31-11)13-4-3-5-13)18-7-6-14(10-30-18)36(34,35)32-12(2)21(23,24)25/h5-6,9-11,13,33H,1-4,7-8H2,(H2,30,35);7-11,13,33H,3-6H2,1-2H3,(H2,30,35);7-12,16,29H,4-6H2,1-3H3,(H2,27,31);7-12,15,29H,4-6H2,1-3H3,(H2,27,31);6-8,10,12-13,32H,3-5H2,1-2H3/t;;;;12-/m....0/s1.

What are the key properties of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2645.59 g/mol, XLogP of 24.61, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclopentyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 161389540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).