2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C110H104F10N26O10 — CID 161271822

About 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 161271822) has the molecular formula C110H104F10N26O10 and a molecular weight of 2140.19 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 161271822
• Molecular Formula: C110H104F10N26O10
• Molecular Weight: 2140.19 g/mol
• Exact Mass: 2138.83
• IUPAC Name: 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: CC1(C)CCCCCN1c1cc(-n2cnc(N3CCOC4(CC4)C3)c2)c2c(n1)CNC2=O.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCC(F)(F)CC4)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCC5(CCOCC5)CC4)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCCC4=O)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(C3=NC(C(=O)N4CCOC4)N=C3)c21
• InChI: InChI=1S/C25H25F2N5O2.C24H32N6O2.C21H17F4N5O.C20H15F2N5O3.C20H15F2N5O2/c26-16-2-1-3-17(27)22(16)18-12-20(23-19(30-18)13-28-24(23)33)32-14-21(29-15-32)31-8-4-25(5-9-31)6-10-34-11-7-25;1-23(2)6-4-3-5-9-30(23)19-12-18(21-17(27-19)13-25-22(21)31)29-14-20(26-16-29)28-10-11-32-24(15-28)7-8-24;22-12-2-1-3-13(23)18(12)14-8-16(19-15(28-14)9-26-20(19)31)30-10-17(27-11-30)29-6-4-21(24,25)5-7-29;21-11-2-1-3-12(22)17(11)13-6-10(16-15(25-13)8-24-19(16)28)14-7-23-18(26-14)20(29)27-4-5-30-9-27;21-11-3-1-4-12(22)18(11)13-7-15(19-14(25-13)8-23-20(19)29)26-9-16(24-10-26)27-6-2-5-17(27)28/h1-3,12,14-15H,4-11,13H2,(H,28,33);12,14,16H,3-11,13,15H2,1-2H3,(H,25,31);1-3,8,10-11H,4-7,9H2,(H,26,31);1-3,6-7,18H,4-5,8-9H2,(H,24,28);1,3-4,7,9-10H,2,5-6,8H2,(H,23,29)
• InChIKey: VDXPBPYXOOJXQR-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 387.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.19
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 161271822) is 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC1(C)CCCCCN1c1cc(-n2cnc(N3CCOC4(CC4)C3)c2)c2c(n1)CNC2=O.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCC(F)(F)CC4)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCC5(CCOCC5)CC4)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cnc(N4CCCC4=O)c3)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(C3=NC(C(=O)N4CCOC4)N=C3)c21.

What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The InChIKey is VDXPBPYXOOJXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2.C24H32N6O2.C21H17F4N5O.C20H15F2N5O3.C20H15F2N5O2/c26-16-2-1-3-17(27)22(16)18-12-20(23-19(30-18)13-28-24(23)33)32-14-21(29-15-32)31-8-4-25(5-9-31)6-10-34-11-7-25;1-23(2)6-4-3-5-9-30(23)19-12-18(21-17(27-19)13-25-22(21)31)29-14-20(26-16-29)28-10-11-32-24(15-28)7-8-24;22-12-2-1-3-13(23)18(12)14-8-16(19-15(28-14)9-26-20(19)31)30-10-17(27-11-30)29-6-4-21(24,25)5-7-29;21-11-2-1-3-12(22)17(11)13-6-10(16-15(25-13)8-24-19(16)28)14-7-23-18(26-14)20(29)27-4-5-30-9-27;21-11-3-1-4-12(22)18(11)13-7-15(19-14(25-13)8-23-20(19)29)26-9-16(24-10-26)27-6-2-5-17(27)28/h1-3,12,14-15H,4-11,13H2,(H,28,33);12,14,16H,3-11,13,15H2,1-2H3,(H,25,31);1-3,8,10-11H,4-7,9H2,(H,26,31);1-3,6-7,18H,4-5,8-9H2,(H,24,28);1,3-4,7,9-10H,2,5-6,8H2,(H,23,29).

What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2140.19 g/mol, XLogP of 14.45, 15 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[2-(1,3-oxazolidine-3-carbonyl)-2H-imidazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,2-dimethylazepan-1-yl)-4-[4-(4-oxa-7-azaspiro[2.5]octan-7-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 161271822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).