(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate

C165H216F10N20O22S6 — CID 158985468

About (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate

(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate (PubChem CID 158985468) has the molecular formula C165H216F10N20O22S6 and a molecular weight of 3214.04 g/mol. Its IUPAC name is (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate
• PubChem CID: 158985468
• Molecular Formula: C165H216F10N20O22S6
• Molecular Weight: 3214.04 g/mol
• Exact Mass: 3211.46
• IUPAC Name: (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate
• SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C(=O)OC)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(F)(F)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(F)(F)CC2)[C@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(OC)CC2)[C@H]3C(C)C)cc1
• InChI: InChI=1S/C29H39N3O5S.C28H36F3N3O3S.C28H39N3O4S.C27H33F3N4O4S.C27H35F2N3O3S.C26H34F2N4O3S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4;1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31;1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21;1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30;1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20;1-4-36(34,35)22-6-5-21(29-14-22)13-31-25(33)19-11-20-16-32(24(17(2)3)23(20)30-12-19)15-18-7-9-26(27,28)10-8-18/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33);7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35);8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32);9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35);5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33);5-6,11-12,14,17-18,24H,4,7-10,13,15-16H2,1-3H3,(H,31,33)/t21?,22?,27-;20?,23?,26-;21?,24?,27-;17?,19?,24-;25-;24-/m000000/s1
• InChIKey: JPNBWWRLZOZFGO-ZSCRSOGJSA-N
• XLogP: 28.91
• TPSA: 554.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 50
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3214.04
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate?

The IUPAC name of (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate (CID 158985468) is (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate.

What is the SMILES notation for (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate?

The canonical SMILES for (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate is CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C(=O)OC)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(F)(F)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(F)(F)CC2)[C@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(OC)CC2)[C@H]3C(C)C)cc1.

What is the InChIKey of (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate?

The InChIKey is JPNBWWRLZOZFGO-ZSCRSOGJSA-N. The full InChI is InChI=1S/C29H39N3O5S.C28H36F3N3O3S.C28H39N3O4S.C27H33F3N4O4S.C27H35F2N3O3S.C26H34F2N4O3S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4;1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31;1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21;1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30;1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20;1-4-36(34,35)22-6-5-21(29-14-22)13-31-25(33)19-11-20-16-32(24(17(2)3)23(20)30-12-19)15-18-7-9-26(27,28)10-8-18/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33);7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35);8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32);9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35);5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33);5-6,11-12,14,17-18,24H,4,7-10,13,15-16H2,1-3H3,(H,31,33)/t21?,22?,27-;20?,23?,26-;21?,24?,27-;17?,19?,24-;25-;24-/m000000/s1.

What are the key properties of (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate?

(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate has a molecular weight of 3214.04 g/mol, XLogP of 28.91, 50 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4,4-difluorocyclohexyl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methoxycyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-oxo-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 158985468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).