(7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate

C182H209ClN24O19S4 — CID 158452898

About (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate

(7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate (PubChem CID 158452898) has the molecular formula C182H209ClN24O19S4 and a molecular weight of 3200.54 g/mol. Its IUPAC name is (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate.

Molecular Properties

• Compound Name: (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate
• PubChem CID: 158452898
• Molecular Formula: C182H209ClN24O19S4
• Molecular Weight: 3200.54 g/mol
• Exact Mass: 3197.47
• IUPAC Name: (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate
• SMILES: CC(=O)N1Cc2cc(C(=O)NCc3ccc(C)cc3)cnc2[C@@H]1C(C)C.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C)cc2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2nccc(C)n2)[C@H]3C(C)C)cc1.COC(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C)cc2)[C@H]3C(C)C)cc1.Cc1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)[C@H]3C(C)C)cc1.[C-]#[N+]c1ccc(S(=O)(=O)N2Cc3cc(C(=O)NCc4ccc(C)cc4)cnc3[C@@H]2C(C)C)cc1
• InChI: InChI=1S/C28H39N3O3S.C28H33N3O3S.C28H31N3O3.C26H26ClN3O2.C26H26N4O3S.C25H29N5O3S.C21H25N3O2/c2*1-5-35(33,34)25-12-10-21(11-13-25)15-30-28(32)23-14-24-18-31(17-22-8-6-20(4)7-9-22)27(19(2)3)26(24)29-16-23;1-18(2)26-25-24(17-31(26)16-21-7-5-19(3)6-8-21)13-23(15-29-25)27(32)30-14-20-9-11-22(12-10-20)28(33)34-4;1-16(2)24-23-22(26(32)30(24)15-19-8-10-21(27)11-9-19)12-20(14-28-23)25(31)29-13-18-6-4-17(3)5-7-18;1-17(2)25-24-21(16-30(25)34(32,33)23-11-9-22(27-4)10-12-23)13-20(15-28-24)26(31)29-14-19-7-5-18(3)6-8-19;1-5-34(32,33)21-8-6-18(7-9-21)13-28-24(31)19-12-20-15-30(25-26-11-10-17(4)29-25)23(16(2)3)22(20)27-14-19;1-13(2)20-19-18(12-24(20)15(4)25)9-17(11-22-19)21(26)23-10-16-7-5-14(3)6-8-16/h10-14,16,19-20,22,27H,5-9,15,17-18H2,1-4H3,(H,30,32);6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,30,32);5-13,15,18,26H,14,16-17H2,1-4H3,(H,30,32);4-12,14,16,24H,13,15H2,1-3H3,(H,29,31);5-13,15,17,25H,14,16H2,1-3H3,(H,29,31);6-12,14,16,23H,5,13,15H2,1-4H3,(H,28,31);5-9,11,13,20H,10,12H2,1-4H3,(H,23,26)/t20?,22?,27-;27-;26-;24-;25-;23-;20-/m0000000/s1
• InChIKey: HEFGEWNPOBVVHV-DCZLNBJCSA-N
• XLogP: 31.89
• TPSA: 543.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3200.54
LogP ≤ 5	31.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate?

The IUPAC name of (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate (CID 158452898) is (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate.

What is the SMILES notation for (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate?

The canonical SMILES for (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate is CC(=O)N1Cc2cc(C(=O)NCc3ccc(C)cc3)cnc2[C@@H]1C(C)C.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCC(C)CC2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C)cc2)[C@H]3C(C)C)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2nccc(C)n2)[C@H]3C(C)C)cc1.COC(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C)cc2)[C@H]3C(C)C)cc1.Cc1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)[C@H]3C(C)C)cc1.[C-]#[N+]c1ccc(S(=O)(=O)N2Cc3cc(C(=O)NCc4ccc(C)cc4)cnc3[C@@H]2C(C)C)cc1.

What is the InChIKey of (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate?

The InChIKey is HEFGEWNPOBVVHV-DCZLNBJCSA-N. The full InChI is InChI=1S/C28H39N3O3S.C28H33N3O3S.C28H31N3O3.C26H26ClN3O2.C26H26N4O3S.C25H29N5O3S.C21H25N3O2/c2*1-5-35(33,34)25-12-10-21(11-13-25)15-30-28(32)23-14-24-18-31(17-22-8-6-20(4)7-9-22)27(19(2)3)26(24)29-16-23;1-18(2)26-25-24(17-31(26)16-21-7-5-19(3)6-8-21)13-23(15-29-25)27(32)30-14-20-9-11-22(12-10-20)28(33)34-4;1-16(2)24-23-22(26(32)30(24)15-19-8-10-21(27)11-9-19)12-20(14-28-23)25(31)29-13-18-6-4-17(3)5-7-18;1-17(2)25-24-21(16-30(25)34(32,33)23-11-9-22(27-4)10-12-23)13-20(15-28-24)26(31)29-14-19-7-5-18(3)6-8-19;1-5-34(32,33)21-8-6-18(7-9-21)13-28-24(31)19-12-20-15-30(25-26-11-10-17(4)29-25)23(16(2)3)22(20)27-14-19;1-13(2)20-19-18(12-24(20)15(4)25)9-17(11-22-19)21(26)23-10-16-7-5-14(3)6-8-16/h10-14,16,19-20,22,27H,5-9,15,17-18H2,1-4H3,(H,30,32);6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,30,32);5-13,15,18,26H,14,16-17H2,1-4H3,(H,30,32);4-12,14,16,24H,13,15H2,1-3H3,(H,29,31);5-13,15,17,25H,14,16H2,1-3H3,(H,29,31);6-12,14,16,23H,5,13,15H2,1-4H3,(H,28,31);5-9,11,13,20H,10,12H2,1-4H3,(H,23,26)/t20?,22?,27-;27-;26-;24-;25-;23-;20-/m0000000/s1.

What are the key properties of (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate?

(7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate has a molecular weight of 3200.54 g/mol, XLogP of 31.89, 46 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-6-acetyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-7-propan-2-yl-7H-pyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethylsulfonylphenyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-(4-isocyanophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-6-[(4-methylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 158452898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).