2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one

C128H94Cl6F8N20O8 — CID 159917082

About 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one

2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one (PubChem CID 159917082) has the molecular formula C128H94Cl6F8N20O8 and a molecular weight of 2406.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one
• PubChem CID: 159917082
• Molecular Formula: C128H94Cl6F8N20O8
• Molecular Weight: 2406.00 g/mol
• Exact Mass: 2401.56
• IUPAC Name: 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one
• SMILES: CN(C)CCNc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.O=c1c2ccccc2c(-c2c(F)cc(F)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(CO)nc2F)nn1Cc1ccc(Cl)cc1.[2H]C(c1ccc(Cl)cc1)n1nc(-c2ccc(C)nc2F)c2ccccc2c1=O
• InChI: InChI=1S/C24H23ClFN5O.2C21H15ClFN3O2.2C21H15ClFN3O.C20H11ClF3N3O/c1-30(2)14-13-27-21-12-11-20(23(26)28-21)22-18-5-3-4-6-19(18)24(32)31(29-22)15-16-7-9-17(25)10-8-16;1-28-18-11-10-17(20(23)24-18)19-15-4-2-3-5-16(15)21(27)26(25-19)12-13-6-8-14(22)9-7-13;22-14-7-5-13(6-8-14)11-26-21(28)17-4-2-1-3-16(17)19(25-26)18-10-9-15(12-27)24-20(18)23;2*1-13-6-11-18(20(23)24-13)19-16-4-2-3-5-17(16)21(27)26(25-19)12-14-7-9-15(22)10-8-14;21-12-7-5-11(6-8-12)10-27-20(28)14-4-2-1-3-13(14)18(26-27)17-15(22)9-16(23)25-19(17)24/h3-12H,13-15H2,1-2H3,(H,27,28);2-11H,12H2,1H3;1-10,27H,11-12H2;2*2-11H,12H2,1H3;1-9H,10H2/i;;;12D
• InChIKey: NXXNRDZURZJRTQ-ZZNAGLFNSA-N
• XLogP: 26.17
• TPSA: 331.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.00
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one?

The IUPAC name of 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one (CID 159917082) is 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one.

What is the SMILES notation for 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one?

The canonical SMILES for 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one is CN(C)CCNc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.O=c1c2ccccc2c(-c2c(F)cc(F)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(CO)nc2F)nn1Cc1ccc(Cl)cc1.[2H]C(c1ccc(Cl)cc1)n1nc(-c2ccc(C)nc2F)c2ccccc2c1=O.

What is the InChIKey of 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one?

The InChIKey is NXXNRDZURZJRTQ-ZZNAGLFNSA-N. The full InChI is InChI=1S/C24H23ClFN5O.2C21H15ClFN3O2.2C21H15ClFN3O.C20H11ClF3N3O/c1-30(2)14-13-27-21-12-11-20(23(26)28-21)22-18-5-3-4-6-19(18)24(32)31(29-22)15-16-7-9-17(25)10-8-16;1-28-18-11-10-17(20(23)24-18)19-15-4-2-3-5-16(15)21(27)26(25-19)12-13-6-8-14(22)9-7-13;22-14-7-5-13(6-8-14)11-26-21(28)17-4-2-1-3-16(17)19(25-26)18-10-9-15(12-27)24-20(18)23;2*1-13-6-11-18(20(23)24-13)19-16-4-2-3-5-17(16)21(27)26(25-19)12-14-7-9-15(22)10-8-14;21-12-7-5-11(6-8-12)10-27-20(28)14-4-2-1-3-13(14)18(26-27)17-15(22)9-16(23)25-19(17)24/h3-12H,13-15H2,1-2H3,(H,27,28);2-11H,12H2,1H3;1-10,27H,11-12H2;2*2-11H,12H2,1H3;1-9H,10H2/i;;;12D;;.

What are the key properties of 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one?

2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one has a molecular weight of 2406.00 g/mol, XLogP of 26.17, 24 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-[2-(dimethylamino)ethylamino]-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(hydroxymethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2,4,6-trifluoro-3-pyridinyl)phthalazin-1-one is sourced from PubChem (CID 159917082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).