2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one

C111H85Cl5F7N15O8 — CID 159549644

IUPAC2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one
SMILESCOc1cc2c(-c3ccc(C)nc3F)nn(Cc3ccc(Cl)cc3)c(=O)c2cc1OC.COc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(C)c(C)cc23)c(F)n1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(F)c(F)cc23)c(F)n1.Cc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1
InChIInChI=1S/C23H19ClFN3O3.C23H19ClFN3O.C22H17ClFN3O2.C22H17ClFN3O.C21H13ClF3N3O/c1-13-4-9-16(22(25)26-13)21-17-10-19(30-2)20(31-3)11-18(17)23(29)28(27-21)12-14-5-7-15(24)8-6-14;1-13-10-19-20(11-14(13)2)23(29)28(12-16-5-7-17(24)8-6-16)27-21(19)18-9-4-15(3)26-22(18)25;1-13-3-9-18(21(24)25-13)20-19-11-16(29-2)8-10-17(19)22(28)27(26-20)12-14-4-6-15(23)7-5-14;1-13-3-9-17-19(11-13)20(18-10-4-14(2)25-21(18)24)26-27(22(17)28)12-15-5-7-16(23)8-6-15;1-11-2-7-14(20(25)26-11)19-15-8-17(23)18(24)9-16(15)21(29)28(27-19)10-12-3-5-13(22)6-4-12/h4-11H,12H2,1-3H3;4-11H,12H2,1-3H3;3-11H,12H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3
InChIKeyMFFOTKWHDKAPGM-UHFFFAOYSA-N
MW2067.25 g/mol
LogP24.27
Rot. Bonds18

About 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one

2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one (PubChem CID 159549644) has the molecular formula C111H85Cl5F7N15O8 and a molecular weight of 2067.25 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one
PubChem CID159549644
Molecular FormulaC111H85Cl5F7N15O8
Molecular Weight2067.25 g/mol
Exact Mass2063.50
IUPAC Name2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one
SMILESCOc1cc2c(-c3ccc(C)nc3F)nn(Cc3ccc(Cl)cc3)c(=O)c2cc1OC.COc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(C)c(C)cc23)c(F)n1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(F)c(F)cc23)c(F)n1.Cc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1
InChIInChI=1S/C23H19ClFN3O3.C23H19ClFN3O.C22H17ClFN3O2.C22H17ClFN3O.C21H13ClF3N3O/c1-13-4-9-16(22(25)26-13)21-17-10-19(30-2)20(31-3)11-18(17)23(29)28(27-21)12-14-5-7-15(24)8-6-14;1-13-10-19-20(11-14(13)2)23(29)28(12-16-5-7-17(24)8-6-16)27-21(19)18-9-4-15(3)26-22(18)25;1-13-3-9-18(21(24)25-13)20-19-11-16(29-2)8-10-17(19)22(28)27(26-20)12-14-4-6-15(23)7-5-14;1-13-3-9-17-19(11-13)20(18-10-4-14(2)25-21(18)24)26-27(22(17)28)12-15-5-7-16(23)8-6-15;1-11-2-7-14(20(25)26-11)19-15-8-17(23)18(24)9-16(15)21(29)28(27-19)10-12-3-5-13(22)6-4-12/h4-11H,12H2,1-3H3;4-11H,12H2,1-3H3;3-11H,12H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3
InChIKeyMFFOTKWHDKAPGM-UHFFFAOYSA-N
XLogP24.27
TPSA266.59 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.25
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-Chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one
CID 146653554
2-[(4-Chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-isocyanophthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methyl-7-(trifluoromethyl)phthalazin-1-one;4-[[6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 160199175
[6-(3,4-Dimethoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-phenyl-2-pyridinyl)methanone;(4-methylpiperidin-1-yl)-[6-(3-propan-2-ylphenyl)-2-pyridinyl]methanone;(4-methylpiperidin-1-yl)-[6-(4-propan-2-ylphenyl)-2-pyridinyl]methanone;(4-methylpiperidin-1-yl)-[6-(2,4,6-trichlorophenyl)-2-pyridinyl]methanone
CID 157797691
4-(2-Fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxy-2-[(4-methylphenyl)methyl]phthalazin-1-one;4-[[4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethyl-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 158911704
4-[[4-[5-Chloro-2-fluoro-6-(propylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-6-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one
CID 162180733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one (CID 159549644) is 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one is COc1cc2c(-c3ccc(C)nc3F)nn(Cc3ccc(Cl)cc3)c(=O)c2cc1OC.COc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(C)c(C)cc23)c(F)n1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3cc(F)c(F)cc23)c(F)n1.Cc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one?
The InChIKey is MFFOTKWHDKAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3.C23H19ClFN3O.C22H17ClFN3O2.C22H17ClFN3O.C21H13ClF3N3O/c1-13-4-9-16(22(25)26-13)21-17-10-19(30-2)20(31-3)11-18(17)23(29)28(27-21)12-14-5-7-15(24)8-6-14;1-13-10-19-20(11-14(13)2)23(29)28(12-16-5-7-17(24)8-6-16)27-21(19)18-9-4-15(3)26-22(18)25;1-13-3-9-18(21(24)25-13)20-19-11-16(29-2)8-10-17(19)22(28)27(26-20)12-14-4-6-15(23)7-5-14;1-13-3-9-17-19(11-13)20(18-10-4-14(2)25-21(18)24)26-27(22(17)28)12-15-5-7-16(23)8-6-15;1-11-2-7-14(20(25)26-11)19-15-8-17(23)18(24)9-16(15)21(29)28(27-19)10-12-3-5-13(22)6-4-12/h4-11H,12H2,1-3H3;4-11H,12H2,1-3H3;3-11H,12H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one?
2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one has a molecular weight of 2067.25 g/mol, XLogP of 24.27, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6,7-difluoro-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methoxyphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6-methylphthalazin-1-one is sourced from PubChem (CID 159549644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).