2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone

C160H162ClF11N28O15S5 — CID 158517306

About 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone

2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 158517306) has the molecular formula C160H162ClF11N28O15S5 and a molecular weight of 3122.00 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
• PubChem CID: 158517306
• Molecular Formula: C160H162ClF11N28O15S5
• Molecular Weight: 3122.00 g/mol
• Exact Mass: 3119.09
• IUPAC Name: 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC4CCC[C@@H](NC(=O)N(C)C)C4)c(F)cc3F)c3cc(F)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC4CCC[C@@H](NC(=O)c5cn(C)cn5)C4)c(F)cc3F)c3cc(F)cnc32)cc1.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CCCCC3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(Cl)cc12.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CC[C@@H](C)C3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(F)cc12.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CC[C@H](C)C3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(F)cc12
• InChI: InChI=1S/C34H35ClFN5O3S.2C34H35F2N5O3S.C30H28F3N7O3S.C28H29F3N6O3S/c1-22-9-11-26(12-10-22)45(43,44)41-21-28(27-18-25(35)20-38-34(27)41)33-31(37-2)19-29(36)30(39-33)16-23-7-6-8-24(15-23)17-32(42)40-13-4-3-5-14-40;2*1-21-7-9-26(10-8-21)45(43,44)41-20-28(27-16-25(35)18-38-34(27)41)33-31(37-3)17-29(36)30(39-33)14-23-5-4-6-24(13-23)15-32(42)40-12-11-22(2)19-40;1-17-6-8-21(9-7-17)44(42,43)40-14-23(22-10-18(31)13-34-29(22)40)27-24(32)12-25(33)28(38-27)36-19-4-3-5-20(11-19)37-30(41)26-15-39(2)16-35-26;1-16-7-9-20(10-8-16)41(39,40)37-15-22(21-11-17(29)14-32-27(21)37)25-23(30)13-24(31)26(35-25)33-18-5-4-6-19(12-18)34-28(38)36(2)3/h9-12,18-21,23-24H,3-8,13-17H2,1H3;2*7-10,16-18,20,22-24H,4-6,11-15,19H2,1-2H3;6-10,12-16,19-20H,3-5,11H2,1-2H3,(H,36,38)(H,37,41);7-11,13-15,18-19H,4-6,12H2,1-3H3,(H,33,35)(H,34,38)/t23-,24+;22-,23+,24-;22-,23-,24+;19?,20-;18?,19-/m01011/s1
• InChIKey: HLUCJMHGPJUISE-XSKSPHJYSA-N
• XLogP: 31.90
• TPSA: 501.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3122.00
LogP ≤ 5	31.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?

The IUPAC name of 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone (CID 158517306) is 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone is Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC4CCC[C@@H](NC(=O)N(C)C)C4)c(F)cc3F)c3cc(F)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC4CCC[C@@H](NC(=O)c5cn(C)cn5)C4)c(F)cc3F)c3cc(F)cnc32)cc1.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CCCCC3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(Cl)cc12.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CC[C@@H](C)C3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(F)cc12.[C-]#[N+]c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CC[C@H](C)C3)C2)nc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(F)cc12.

What is the InChIKey of 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?

The InChIKey is HLUCJMHGPJUISE-XSKSPHJYSA-N. The full InChI is InChI=1S/C34H35ClFN5O3S.2C34H35F2N5O3S.C30H28F3N7O3S.C28H29F3N6O3S/c1-22-9-11-26(12-10-22)45(43,44)41-21-28(27-18-25(35)20-38-34(27)41)33-31(37-2)19-29(36)30(39-33)16-23-7-6-8-24(15-23)17-32(42)40-13-4-3-5-14-40;2*1-21-7-9-26(10-8-21)45(43,44)41-20-28(27-16-25(35)18-38-34(27)41)33-31(37-3)17-29(36)30(39-33)14-23-5-4-6-24(13-23)15-32(42)40-12-11-22(2)19-40;1-17-6-8-21(9-7-17)44(42,43)40-14-23(22-10-18(31)13-34-29(22)40)27-24(32)12-25(33)28(38-27)36-19-4-3-5-20(11-19)37-30(41)26-15-39(2)16-35-26;1-16-7-9-20(10-8-16)41(39,40)37-15-22(21-11-17(29)14-32-27(21)37)25-23(30)13-24(31)26(35-25)33-18-5-4-6-19(12-18)34-28(38)36(2)3/h9-12,18-21,23-24H,3-8,13-17H2,1H3;2*7-10,16-18,20,22-24H,4-6,11-15,19H2,1-2H3;6-10,12-16,19-20H,3-5,11H2,1-2H3,(H,36,38)(H,37,41);7-11,13-15,18-19H,4-6,12H2,1-3H3,(H,33,35)(H,34,38)/t23-,24+;22-,23+,24-;22-,23-,24+;19?,20-;18?,19-/m01011/s1.

What are the key properties of 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?

2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 3122.00 g/mol, XLogP of 31.90, 34 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,3S)-3-[[6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-piperidin-1-ylethanone;3-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1,1-dimethylurea;N-[(1R)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyano-2-pyridinyl]methyl]cyclohexyl]-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158517306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).