5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride

C99H84BrCl2F16N19O11 — CID 157359652

About 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride (PubChem CID 157359652) has the molecular formula C99H84BrCl2F16N19O11 and a molecular weight of 2170.66 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride
• PubChem CID: 157359652
• Molecular Formula: C99H84BrCl2F16N19O11
• Molecular Weight: 2170.66 g/mol
• Exact Mass: 2167.49
• IUPAC Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride
• SMILES: COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(N5CC(F)(F)C5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Cl.FC1(F)CNC1.Nc1ccc(N2CC(F)(F)C2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CC(F)(F)C4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC(F)(F)C2)cn1
• InChI: InChI=1S/C31H26F4N4O3.C22H17ClF2N2O3.C22H16F4N4O.C8H7F2N3O2.C8H9F2N3.C5H3BrN2O2.C3H5F2N.ClH/c1-41-22-9-6-18(27(12-22)42-2)14-38-15-26-28(30(38)40)19(11-25(37-26)29-23(32)4-3-5-24(29)33)10-20-7-8-21(13-36-20)39-16-31(34,35)17-39;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;23-15-2-1-3-16(24)20(15)17-7-12(19-18(29-17)9-28-21(19)31)6-13-4-5-14(8-27-13)30-10-22(25,26)11-30;9-8(10)4-12(5-8)6-1-2-7(11-3-6)13(14)15;9-8(10)4-13(5-8)6-1-2-7(11)12-3-6;6-4-1-2-5(7-3-4)8(9)10;4-3(5)1-6-2-3;/h3-9,11-13H,10,14-17H2,1-2H3;3-9H,10-11H2,1-2H3;1-5,7-8H,6,9-11H2,(H,28,31);1-3H,4-5H2;1-3H,4-5H2,(H2,11,12);1-3H;6H,1-2H2;1H
• InChIKey: HWCRRJGPGWNYOS-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 347.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.66
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

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 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride?

The IUPAC name of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride (CID 157359652) is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride.

What is the SMILES notation for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride?

The canonical SMILES for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride is COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(N5CC(F)(F)C5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Cl.FC1(F)CNC1.Nc1ccc(N2CC(F)(F)C2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CC(F)(F)C4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC(F)(F)C2)cn1.

What is the InChIKey of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride?

The InChIKey is HWCRRJGPGWNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F4N4O3.C22H17ClF2N2O3.C22H16F4N4O.C8H7F2N3O2.C8H9F2N3.C5H3BrN2O2.C3H5F2N.ClH/c1-41-22-9-6-18(27(12-22)42-2)14-38-15-26-28(30(38)40)19(11-25(37-26)29-23(32)4-3-5-24(29)33)10-20-7-8-21(13-36-20)39-16-31(34,35)17-39;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;23-15-2-1-3-16(24)20(15)17-7-12(19-18(29-17)9-28-21(19)31)6-13-4-5-14(8-27-13)30-10-22(25,26)11-30;9-8(10)4-12(5-8)6-1-2-7(11-3-6)13(14)15;9-8(10)4-13(5-8)6-1-2-7(11)12-3-6;6-4-1-2-5(7-3-4)8(9)10;4-3(5)1-6-2-3;/h3-9,11-13H,10,14-17H2,1-2H3;3-9H,10-11H2,1-2H3;1-5,7-8H,6,9-11H2,(H,28,31);1-3H,4-5H2;1-3H,4-5H2,(H2,11,12);1-3H;6H,1-2H2;1H.

What are the key properties of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride?

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride has a molecular weight of 2170.66 g/mol, XLogP of 19.17, 21 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3,3-difluoroazetidine;5-(3,3-difluoroazetidin-1-yl)-2-nitropyridine;5-(3,3-difluoroazetidin-1-yl)pyridin-2-amine;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydrochloride is sourced from PubChem (CID 157359652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).