(7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

C139H169F18N15O19S5 — CID 161098248

About (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

(7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (PubChem CID 161098248) has the molecular formula C139H169F18N15O19S5 and a molecular weight of 2856.27 g/mol. Its IUPAC name is (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
• PubChem CID: 161098248
• Molecular Formula: C139H169F18N15O19S5
• Molecular Weight: 2856.27 g/mol
• Exact Mass: 2854.10
• IUPAC Name: (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
• SMILES: C=S(C)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)cc1.C=S(C)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3CC)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC(F)(F)F)[C@H]3Cc2ccccc2)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)C3C(F)(F)F)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1
• InChI: InChI=1S/C29H38F3N3O3S.C28H36F3N3O5S.C28H36F3N3O3S.C27H31F6N3O4S.C27H28F3N3O4S/c1-18(2)27-26-22(16-35(27)15-19-5-9-23(10-6-19)29(30,31)32)13-21(14-33-26)28(37)34-25(17-36)20-7-11-24(12-8-20)39(3,4)38;1-4-40(37,38)23-9-5-18(6-10-23)24(15-35)33-27(36)19-11-20-13-34(26(17(2)3)25(20)32-12-19)14-22-8-7-21(16-39-22)28(29,30)31;1-4-25-26-21(16-34(25)15-18-5-9-22(10-6-18)28(29,30)31)13-20(14-32-26)27(36)33-24(17-35)19-7-11-23(12-8-19)38(2,3)37;1-2-41(39,40)21-9-5-17(6-10-21)22(15-37)35-25(38)18-11-19-14-36(24(27(31,32)33)23(19)34-12-18)13-16-3-7-20(8-4-16)26(28,29)30;1-2-38(36,37)22-10-8-19(9-11-22)23(16-34)32-26(35)20-13-21-15-33(17-27(28,29)30)24(25(21)31-14-20)12-18-6-4-3-5-7-18/h7-8,11-14,18-19,23,25,27,36H,3,5-6,9-10,15-17H2,1-2,4H3,(H,34,37);5-6,9-12,17,21-22,24,26,35H,4,7-8,13-16H2,1-3H3,(H,33,36);7-8,11-14,18,22,24-25,35H,2,4-6,9-10,15-17H2,1,3H3,(H,33,36);5-6,9-12,16,20,22,24,37H,2-4,7-8,13-15H2,1H3,(H,35,38);3-11,13-14,23-24,34H,2,12,15-17H2,1H3,(H,32,35)/t19?,23?,25-,27-,39?;21-,22-,24+,26+;18?,22?,24-,25-,38?;16?,20?,22-,24?;23-,24-/m01000/s1
• InChIKey: UIBSRJRULHLWGS-SOXLRNNFSA-N
• XLogP: 23.35
• TPSA: 473.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2856.27
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The IUPAC name of (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (CID 161098248) is (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.

What is the SMILES notation for (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The canonical SMILES for (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is C=S(C)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)cc1.C=S(C)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3CC)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC(F)(F)F)[C@H]3Cc2ccccc2)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)C3C(F)(F)F)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1.

What is the InChIKey of (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The InChIKey is UIBSRJRULHLWGS-SOXLRNNFSA-N. The full InChI is InChI=1S/C29H38F3N3O3S.C28H36F3N3O5S.C28H36F3N3O3S.C27H31F6N3O4S.C27H28F3N3O4S/c1-18(2)27-26-22(16-35(27)15-19-5-9-23(10-6-19)29(30,31)32)13-21(14-33-26)28(37)34-25(17-36)20-7-11-24(12-8-20)39(3,4)38;1-4-40(37,38)23-9-5-18(6-10-23)24(15-35)33-27(36)19-11-20-13-34(26(17(2)3)25(20)32-12-19)14-22-8-7-21(16-39-22)28(29,30)31;1-4-25-26-21(16-34(25)15-18-5-9-22(10-6-18)28(29,30)31)13-20(14-32-26)27(36)33-24(17-35)19-7-11-23(12-8-19)38(2,3)37;1-2-41(39,40)21-9-5-17(6-10-21)22(15-37)35-25(38)18-11-19-14-36(24(27(31,32)33)23(19)34-12-18)13-16-3-7-20(8-4-16)26(28,29)30;1-2-38(36,37)22-10-8-19(9-11-22)23(16-34)32-26(35)20-13-21-15-33(17-27(28,29)30)24(25(21)31-14-20)12-18-6-4-3-5-7-18/h7-8,11-14,18-19,23,25,27,36H,3,5-6,9-10,15-17H2,1-2,4H3,(H,34,37);5-6,9-12,17,21-22,24,26,35H,4,7-8,13-16H2,1-3H3,(H,33,36);7-8,11-14,18,22,24-25,35H,2,4-6,9-10,15-17H2,1,3H3,(H,33,36);5-6,9-12,16,20,22,24,37H,2-4,7-8,13-15H2,1H3,(H,35,38);3-11,13-14,23-24,34H,2,12,15-17H2,1H3,(H,32,35)/t19?,23?,25-,27-,39?;21-,22-,24+,26+;18?,22?,24-,25-,38?;16?,20?,22-,24?;23-,24-/m01000/s1.

What are the key properties of (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

(7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 2856.27 g/mol, XLogP of 23.35, 42 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-ethyl-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[(2R,5R)-5-(trifluoromethyl)oxan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-(trifluoromethyl)-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1R)-2-hydroxy-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 161098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).