6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

C161H170Cl3F3N22O22S6 — CID 160783575

About 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 160783575) has the molecular formula C161H170Cl3F3N22O22S6 and a molecular weight of 3121.02 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
• PubChem CID: 160783575
• Molecular Formula: C161H170Cl3F3N22O22S6
• Molecular Weight: 3121.02 g/mol
• Exact Mass: 3117.02
• IUPAC Name: 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
• SMILES: CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1.CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1.CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1.CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1.CCOC(=O)c1cnc(N2Cc3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)cnc3[C@@H]2C(C)C)nc1C(F)(F)F.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3(O)C(C)C)cc1
• InChI: InChI=1S/C28H30F3N5O5S.C27H28ClN3O5S.2C27H28N4O3S.2C26H28ClN3O3S/c1-5-41-26(38)21-14-34-27(35-24(21)28(29,30)31)36-15-19-11-18(13-32-22(19)23(36)16(3)4)25(37)33-12-17-7-9-20(10-8-17)42(39,40)6-2;1-4-37(35,36)22-11-7-18(8-12-22)14-30-25(32)20-13-23-24(29-15-20)27(34,17(2)3)31(26(23)33)16-19-5-9-21(28)10-6-19;2*1-18(2)26-25-23(17-31(26)16-21-6-4-19(13-28)5-7-21)12-22(15-29-25)27(32)30-14-20-8-10-24(11-9-20)35(3,33)34;2*1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h7-11,13-14,16,23H,5-6,12,15H2,1-4H3,(H,33,37);5-13,15,17,34H,4,14,16H2,1-3H3,(H,30,32);2*4-12,15,18,26H,14,16-17H2,1-3H3,(H,30,32);2*4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t23-;;2*26-;2*25-/m0.1010/s1
• InChIKey: SAXFFVZNRARURK-DNHUBITASA-N
• XLogP: 25.99
• TPSA: 613.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3121.02
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate?

The IUPAC name of 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 160783575) is 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate.

What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate?

The canonical SMILES for 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate is CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1.CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1.CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1.CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1.CCOC(=O)c1cnc(N2Cc3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)cnc3[C@@H]2C(C)C)nc1C(F)(F)F.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3(O)C(C)C)cc1.

What is the InChIKey of 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate?

The InChIKey is SAXFFVZNRARURK-DNHUBITASA-N. The full InChI is InChI=1S/C28H30F3N5O5S.C27H28ClN3O5S.2C27H28N4O3S.2C26H28ClN3O3S/c1-5-41-26(38)21-14-34-27(35-24(21)28(29,30)31)36-15-19-11-18(13-32-22(19)23(36)16(3)4)25(37)33-12-17-7-9-20(10-8-17)42(39,40)6-2;1-4-37(35,36)22-11-7-18(8-12-22)14-30-25(32)20-13-23-24(29-15-20)27(34,17(2)3)31(26(23)33)16-19-5-9-21(28)10-6-19;2*1-18(2)26-25-23(17-31(26)16-21-6-4-19(13-28)5-7-21)12-22(15-29-25)27(32)30-14-20-8-10-24(11-9-20)35(3,33)34;2*1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h7-11,13-14,16,23H,5-6,12,15H2,1-4H3,(H,33,37);5-13,15,17,34H,4,14,16H2,1-3H3,(H,30,32);2*4-12,15,18,26H,14,16-17H2,1-3H3,(H,30,32);2*4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t23-;;2*26-;2*25-/m0.1010/s1.

What are the key properties of 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate?

6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 3121.02 g/mol, XLogP of 25.99, 45 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chlorophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-hydroxy-5-oxo-7-propan-2-ylpyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-chlorophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;ethyl 2-[(7S)-3-[(4-ethylsulfonylphenyl)methylcarbamoyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 160783575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).