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

C133H99Cl6F9N20O7 — CID 162180733

About 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

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 (PubChem CID 162180733) has the molecular formula C133H99Cl6F9N20O7 and a molecular weight of 2473.09 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162180733
• Molecular Formula: C133H99Cl6F9N20O7
• Molecular Weight: 2473.09 g/mol
• Exact Mass: 2468.60
• IUPAC Name: 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
• SMILES: CCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.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.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccc(F)cc23)c(F)n1.Cc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1
• InChI: InChI=1S/C24H19ClFN5O.C23H19ClFN3O.C22H17ClFN3O2.C22H17ClFN3O.C21H13ClF3N3O.C21H14ClF2N3O/c1-2-11-28-23-20(25)12-19(22(26)29-23)21-17-5-3-4-6-18(17)24(32)31(30-21)14-16-9-7-15(13-27)8-10-16;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;1-12-2-8-17(20(24)25-12)19-18-10-15(23)7-9-16(18)21(28)27(26-19)11-13-3-5-14(22)6-4-13/h3-10,12H,2,11,14H2,1H3,(H,28,29);4-11H,12H2,1-3H3;3-11H,12H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3;2-10H,11H2,1H3
• InChIKey: ZOZCLLHQCPTLQT-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 331.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.09
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.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.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccc(F)cc23)c(F)n1.Cc1ccc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3ccc(C)nc3F)c2c1.

What is the InChIKey of 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?

The InChIKey is ZOZCLLHQCPTLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O.C23H19ClFN3O.C22H17ClFN3O2.C22H17ClFN3O.C21H13ClF3N3O.C21H14ClF2N3O/c1-2-11-28-23-20(25)12-19(22(26)29-23)21-17-5-3-4-6-18(17)24(32)31(30-21)14-16-9-7-15(13-27)8-10-16;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;1-12-2-8-17(20(24)25-12)19-18-10-15(23)7-9-16(18)21(28)27(26-19)11-13-3-5-14(22)6-4-13/h3-10,12H,2,11,14H2,1H3,(H,28,29);4-11H,12H2,1-3H3;3-11H,12H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3;2-10H,11H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2473.09 g/mol, XLogP of 29.38, 22 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162180733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).