(7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

C102H116F13N13O8 — CID 158382237

About (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

(7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (PubChem CID 158382237) has the molecular formula C102H116F13N13O8 and a molecular weight of 1899.11 g/mol. Its IUPAC name is (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
• PubChem CID: 158382237
• Molecular Formula: C102H116F13N13O8
• Molecular Weight: 1899.11 g/mol
• Exact Mass: 1897.89
• IUPAC Name: (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
• SMILES: CC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C.CC(C)[C@H]1c2ncc(C(=O)NCC3(O)CCC4(CC3)OCCO4)cc2CN1Cc1ccc(C(F)(F)F)cc1.CC(F)CNC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C.Cc1ccc2c(c1)C(CCNC(=O)c1cnc3c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]3C(C)C)C(=O)N2
• InChI: InChI=1S/C30H31F3N4O2.C28H34F3N3O4.C22H25F4N3O.C22H26F3N3O/c1-17(2)27-26-21(16-37(27)15-19-5-7-22(8-6-19)30(31,32)33)13-20(14-35-26)28(38)34-11-10-23-24-12-18(3)4-9-25(24)36-29(23)39;1-18(2)24-23-21(16-34(24)15-19-3-5-22(6-4-19)28(29,30)31)13-20(14-32-23)25(35)33-17-26(36)7-9-27(10-8-26)37-11-12-38-27;1-13(2)20-19-17(8-16(10-27-19)21(30)28-9-14(3)23)12-29(20)11-15-4-6-18(7-5-15)22(24,25)26;1-13(2)20-19-17(9-16(10-26-19)21(29)27-14(3)4)12-28(20)11-15-5-7-18(8-6-15)22(23,24)25/h4-9,12-14,17,23,27H,10-11,15-16H2,1-3H3,(H,34,38)(H,36,39);3-6,13-14,18,24,36H,7-12,15-17H2,1-2H3,(H,33,35);4-8,10,13-14,20H,9,11-12H2,1-3H3,(H,28,30);5-10,13-14,20H,11-12H2,1-4H3,(H,27,29)/t23?,27-;24-;14?,20-;20-/m0000/s1
• InChIKey: GVXZOFQHSUPITR-VEOXPUABSA-N
• XLogP: 20.42
• TPSA: 248.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.11
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The IUPAC name of (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (CID 158382237) is (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.

What is the SMILES notation for (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The canonical SMILES for (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is CC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C.CC(C)[C@H]1c2ncc(C(=O)NCC3(O)CCC4(CC3)OCCO4)cc2CN1Cc1ccc(C(F)(F)F)cc1.CC(F)CNC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C.Cc1ccc2c(c1)C(CCNC(=O)c1cnc3c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]3C(C)C)C(=O)N2.

What is the InChIKey of (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

The InChIKey is GVXZOFQHSUPITR-VEOXPUABSA-N. The full InChI is InChI=1S/C30H31F3N4O2.C28H34F3N3O4.C22H25F4N3O.C22H26F3N3O/c1-17(2)27-26-21(16-37(27)15-19-5-7-22(8-6-19)30(31,32)33)13-20(14-35-26)28(38)34-11-10-23-24-12-18(3)4-9-25(24)36-29(23)39;1-18(2)24-23-21(16-34(24)15-19-3-5-22(6-4-19)28(29,30)31)13-20(14-32-23)25(35)33-17-26(36)7-9-27(10-8-26)37-11-12-38-27;1-13(2)20-19-17(8-16(10-27-19)21(30)28-9-14(3)23)12-29(20)11-15-4-6-18(7-5-15)22(24,25)26;1-13(2)20-19-17(9-16(10-26-19)21(29)27-14(3)4)12-28(20)11-15-5-7-18(8-6-15)22(23,24)25/h4-9,12-14,17,23,27H,10-11,15-16H2,1-3H3,(H,34,38)(H,36,39);3-6,13-14,18,24,36H,7-12,15-17H2,1-2H3,(H,33,35);4-8,10,13-14,20H,9,11-12H2,1-3H3,(H,28,30);5-10,13-14,20H,11-12H2,1-4H3,(H,27,29)/t23?,27-;24-;14?,20-;20-/m0000/s1.

What are the key properties of (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?

(7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 1899.11 g/mol, XLogP of 20.42, 24 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 158382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).