4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one

C137H112Cl6F6N24O8 — CID 157081853

About 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one

4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one (PubChem CID 157081853) has the molecular formula C137H112Cl6F6N24O8 and a molecular weight of 2549.27 g/mol. Its IUPAC name is 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one.

Molecular Properties

• Compound Name: 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one
• PubChem CID: 157081853
• Molecular Formula: C137H112Cl6F6N24O8
• Molecular Weight: 2549.27 g/mol
• Exact Mass: 2544.71
• IUPAC Name: 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one
• SMILES: CC(C)(C)Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.CN(C)c1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.COCNc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.O=c1c2ccccc2c(-c2ccc(N3CCC3)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(NC3CC3)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(NC3COC3)nc2F)nn1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22ClFN4O.C23H18ClFN4O2.2C23H18ClFN4O.C22H18ClFN4O2.C22H18ClFN4O/c1-24(2,3)28-20-13-12-19(22(26)27-20)21-17-6-4-5-7-18(17)23(31)30(29-21)14-15-8-10-16(25)11-9-15;24-15-7-5-14(6-8-15)11-29-23(30)18-4-2-1-3-17(18)21(28-29)19-9-10-20(27-22(19)25)26-16-12-31-13-16;24-16-8-6-15(7-9-16)14-29-23(30)18-5-2-1-4-17(18)21(27-29)19-10-11-20(26-22(19)25)28-12-3-13-28;24-15-7-5-14(6-8-15)13-29-23(30)18-4-2-1-3-17(18)21(28-29)19-11-12-20(27-22(19)25)26-16-9-10-16;1-30-13-25-19-11-10-18(21(24)26-19)20-16-4-2-3-5-17(16)22(29)28(27-20)12-14-6-8-15(23)9-7-14;1-27(2)19-12-11-18(21(24)25-19)20-16-5-3-4-6-17(16)22(29)28(26-20)13-14-7-9-15(23)10-8-14/h4-13H,14H2,1-3H3,(H,27,28);1-10,16H,11-13H2,(H,26,27);1-2,4-11H,3,12-14H2;1-8,11-12,16H,9-10,13H2,(H,26,27);2-11H,12-13H2,1H3,(H,25,26);3-12H,13H2,1-2H3
• InChIKey: ADQIBXLCSIUZFV-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 359.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.27
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one?

The IUPAC name of 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one (CID 157081853) is 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one.

What is the SMILES notation for 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one?

The canonical SMILES for 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one is CC(C)(C)Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.CN(C)c1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.COCNc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.O=c1c2ccccc2c(-c2ccc(N3CCC3)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(NC3CC3)nc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccc(NC3COC3)nc2F)nn1Cc1ccc(Cl)cc1.

What is the InChIKey of 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one?

The InChIKey is ADQIBXLCSIUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O.C23H18ClFN4O2.2C23H18ClFN4O.C22H18ClFN4O2.C22H18ClFN4O/c1-24(2,3)28-20-13-12-19(22(26)27-20)21-17-6-4-5-7-18(17)23(31)30(29-21)14-15-8-10-16(25)11-9-15;24-15-7-5-14(6-8-15)11-29-23(30)18-4-2-1-3-17(18)21(28-29)19-9-10-20(27-22(19)25)26-16-12-31-13-16;24-16-8-6-15(7-9-16)14-29-23(30)18-5-2-1-4-17(18)21(27-29)19-10-11-20(26-22(19)25)28-12-3-13-28;24-15-7-5-14(6-8-15)13-29-23(30)18-4-2-1-3-17(18)21(28-29)19-11-12-20(27-22(19)25)26-16-9-10-16;1-30-13-25-19-11-10-18(21(24)26-19)20-16-4-2-3-5-17(16)22(29)28(27-20)12-14-6-8-15(23)9-7-14;1-27(2)19-12-11-18(21(24)25-19)20-16-5-3-4-6-17(16)22(29)28(26-20)13-14-7-9-15(23)10-8-14/h4-13H,14H2,1-3H3,(H,27,28);1-10,16H,11-13H2,(H,26,27);1-2,4-11H,3,12-14H2;1-8,11-12,16H,9-10,13H2,(H,26,27);2-11H,12-13H2,1H3,(H,25,26);3-12H,13H2,1-2H3.

What are the key properties of 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one?

4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one has a molecular weight of 2549.27 g/mol, XLogP of 27.68, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 157081853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).