4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine

C81H69BrCl5F7N12O15 — CID 158754235

About 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine

4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine (PubChem CID 158754235) has the molecular formula C81H69BrCl5F7N12O15 and a molecular weight of 1840.67 g/mol. Its IUPAC name is 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine
• PubChem CID: 158754235
• Molecular Formula: C81H69BrCl5F7N12O15
• Molecular Weight: 1840.67 g/mol
• Exact Mass: 1836.25
• IUPAC Name: 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine
• SMILES: COC(=O)c1c(Cl)cc(-n2c(F)cccc2=O)nc1C.COC(=O)c1c(Cl)cc(-n2c(F)cccc2=O)nc1CBr.COC(=O)c1c(Cl)cc(Cl)nc1C.COc1ccc(CN2Cc3nc(-n4c(F)cccc4=O)cc(Cl)c3C2=O)c(OC)c1.Fc1cccc(F)n1.Nc1ccc(N2CCOCC2)cn1.O=C1C=CC=C(F)C1.O=C1C=CC=C(F)C1
• InChI: InChI=1S/C21H17ClFN3O4.C13H9BrClFN2O3.C13H10ClFN2O3.C9H13N3O.C8H7Cl2NO2.2C6H5FO.C5H3F2N/c1-29-13-7-6-12(16(8-13)30-2)10-25-11-15-20(21(25)28)14(22)9-18(24-15)26-17(23)4-3-5-19(26)27;1-21-13(20)12-7(15)5-10(17-8(12)6-14)18-9(16)3-2-4-11(18)19;1-7-12(13(19)20-2)8(14)6-10(16-7)17-9(15)4-3-5-11(17)18;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;1-4-7(8(12)13-2)5(9)3-6(10)11-4;2*7-5-2-1-3-6(8)4-5;6-4-2-1-3-5(7)8-4/h3-9H,10-11H2,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;1-2,7H,3-6H2,(H2,10,11);3H,1-2H3;2*1-3H,4H2;1-3H
• InChIKey: INWBGEVTIWQAGZ-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 333.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.67
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine?

The IUPAC name of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine (CID 158754235) is 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine.

What is the SMILES notation for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine?

The canonical SMILES for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine is COC(=O)c1c(Cl)cc(-n2c(F)cccc2=O)nc1C.COC(=O)c1c(Cl)cc(-n2c(F)cccc2=O)nc1CBr.COC(=O)c1c(Cl)cc(Cl)nc1C.COc1ccc(CN2Cc3nc(-n4c(F)cccc4=O)cc(Cl)c3C2=O)c(OC)c1.Fc1cccc(F)n1.Nc1ccc(N2CCOCC2)cn1.O=C1C=CC=C(F)C1.O=C1C=CC=C(F)C1.

What is the InChIKey of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine?

The InChIKey is INWBGEVTIWQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4.C13H9BrClFN2O3.C13H10ClFN2O3.C9H13N3O.C8H7Cl2NO2.2C6H5FO.C5H3F2N/c1-29-13-7-6-12(16(8-13)30-2)10-25-11-15-20(21(25)28)14(22)9-18(24-15)26-17(23)4-3-5-19(26)27;1-21-13(20)12-7(15)5-10(17-8(12)6-14)18-9(16)3-2-4-11(18)19;1-7-12(13(19)20-2)8(14)6-10(16-7)17-9(15)4-3-5-11(17)18;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;1-4-7(8(12)13-2)5(9)3-6(10)11-4;2*7-5-2-1-3-6(8)4-5;6-4-2-1-3-5(7)8-4/h3-9H,10-11H2,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;1-2,7H,3-6H2,(H2,10,11);3H,1-2H3;2*1-3H,4H2;1-3H.

What are the key properties of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine?

4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine has a molecular weight of 1840.67 g/mol, XLogP of 15.11, 12 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-oxo-1-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2,6-difluoropyridine;bis(5-fluorocyclohexa-2,4-dien-1-one);methyl 2-(bromomethyl)-4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxylate;methyl 4-chloro-6-(2-fluoro-6-oxo-1-pyridinyl)-2-methylpyridine-3-carboxylate;methyl 4,6-dichloro-2-methylpyridine-3-carboxylate;5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 158754235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).