4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)

C99H93Br2ClF6N20O14 — CID 159783212

About 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)

4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine) (PubChem CID 159783212) has the molecular formula C99H93Br2ClF6N20O14 and a molecular weight of 2096.21 g/mol. Its IUPAC name is 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine).

Molecular Properties

• Compound Name: 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)
• PubChem CID: 159783212
• Molecular Formula: C99H93Br2ClF6N20O14
• Molecular Weight: 2096.21 g/mol
• Exact Mass: 2092.51
• IUPAC Name: 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)
• SMILES: C1NCC12COC2.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(N2CC3(COC3)C2)cn1.Nc1ccc(N2CC3(COC3)C2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Br)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CC5(COC5)C4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC3(COC3)C2)cn1
• InChI: InChI=1S/C24H20F2N4O2.C22H17ClF2N2O3.C13H7BrF2N2O.C10H11N3O3.2C10H13N3O.C5H3BrN2O2.C5H9NO/c25-17-2-1-3-18(26)22(17)19-7-14(21-20(29-19)9-28-23(21)31)6-15-4-5-16(8-27-15)30-10-24(11-30)12-32-13-24;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;14-6-4-9(12-7(15)2-1-3-8(12)16)18-10-5-17-13(19)11(6)10;14-13(15)9-2-1-8(3-11-9)12-4-10(5-12)6-16-7-10;2*11-9-2-1-8(3-12-9)13-4-10(5-13)6-14-7-10;6-4-1-2-5(7-3-4)8(9)10;1-5(2-6-1)3-7-4-5/h1-5,7-8H,6,9-13H2,(H,28,31);3-9H,10-11H2,1-2H3;1-4H,5H2,(H,17,19);1-3H,4-7H2;2*1-3H,4-7H2,(H2,11,12);1-3H;6H,1-4H2
• InChIKey: NHPWYUPZPNZPGU-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 409.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.21
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)?

The IUPAC name of 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine) (CID 159783212) is 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine).

What is the SMILES notation for 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)?

The canonical SMILES for 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine) is C1NCC12COC2.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(N2CC3(COC3)C2)cn1.Nc1ccc(N2CC3(COC3)C2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Br)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CC5(COC5)C4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC3(COC3)C2)cn1.

What is the InChIKey of 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)?

The InChIKey is NHPWYUPZPNZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2.C22H17ClF2N2O3.C13H7BrF2N2O.C10H11N3O3.2C10H13N3O.C5H3BrN2O2.C5H9NO/c25-17-2-1-3-18(26)22(17)19-7-14(21-20(29-19)9-28-23(21)31)6-15-4-5-16(8-27-15)30-10-24(11-30)12-32-13-24;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;14-6-4-9(12-7(15)2-1-3-8(12)16)18-10-5-17-13(19)11(6)10;14-13(15)9-2-1-8(3-11-9)12-4-10(5-12)6-16-7-10;2*11-9-2-1-8(3-12-9)13-4-10(5-13)6-14-7-10;6-4-1-2-5(7-3-4)8(9)10;1-5(2-6-1)3-7-4-5/h1-5,7-8H,6,9-13H2,(H,28,31);3-9H,10-11H2,1-2H3;1-4H,5H2,(H,17,19);1-3H,4-7H2;2*1-3H,4-7H2,(H2,11,12);1-3H;6H,1-4H2.

What are the key properties of 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine)?

4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine) has a molecular weight of 2096.21 g/mol, XLogP of 14.16, 15 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-(6-nitro-3-pyridinyl)-2-oxa-6-azaspiro[3.3]heptane;2-oxa-6-azaspiro[3.3]heptane;bis(5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-2-amine) is sourced from PubChem (CID 159783212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).