4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one

C61H43Cl3F2N10O4 — CID 157214051

About 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one

4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one (PubChem CID 157214051) has the molecular formula C61H43Cl3F2N10O4 and a molecular weight of 1124.44 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one.

Molecular Properties

• Compound Name: 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one
• PubChem CID: 157214051
• Molecular Formula: C61H43Cl3F2N10O4
• Molecular Weight: 1124.44 g/mol
• Exact Mass: 1122.25
• IUPAC Name: 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one
• SMILES: COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cn1.O=c1c2ccccc2c(-c2cccnc2F)nn1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C21H15ClFN3O2.C20H13ClFN3O.C20H15ClN4O/c1-28-18-11-10-17(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;21-14-9-7-13(8-10-14)12-25-20(26)16-5-2-1-4-15(16)18(24-25)17-6-3-11-23-19(17)22;21-15-8-5-13(6-9-15)12-25-20(26)17-4-2-1-3-16(17)19(24-25)14-7-10-18(22)23-11-14/h2-11H,12H2,1H3;1-11H,12H2;1-11H,12H2,(H2,22,23)
• InChIKey: ASFDBZRSUWIWEF-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 178.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.44
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one?

The IUPAC name of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one (CID 157214051) is 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one.

What is the SMILES notation for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one?

The canonical SMILES for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one is COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cn1.O=c1c2ccccc2c(-c2cccnc2F)nn1Cc1ccc(Cl)cc1.

What is the InChIKey of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one?

The InChIKey is ASFDBZRSUWIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2.C20H13ClFN3O.C20H15ClN4O/c1-28-18-11-10-17(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;21-14-9-7-13(8-10-14)12-25-20(26)16-5-2-1-4-15(16)18(24-25)17-6-3-11-23-19(17)22;21-15-8-5-13(6-9-15)12-25-20(26)17-4-2-1-3-16(17)19(24-25)14-7-10-18(22)23-11-14/h2-11H,12H2,1H3;1-11H,12H2;1-11H,12H2,(H2,22,23).

What are the key properties of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one?

4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one has a molecular weight of 1124.44 g/mol, XLogP of 12.35, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one is sourced from PubChem (CID 157214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).