2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate

C135H102Cl6F8N20O10 — CID 161959394

About 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate

2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate (PubChem CID 161959394) has the molecular formula C135H102Cl6F8N20O10 and a molecular weight of 2534.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate.

Molecular Properties

• Compound Name: 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate
• PubChem CID: 161959394
• Molecular Formula: C135H102Cl6F8N20O10
• Molecular Weight: 2534.10 g/mol
• Exact Mass: 2532.64
• IUPAC Name: 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate
• SMILES: [2H]C(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)F)F.[2H]C([2H])(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)C)F.[2H]C([2H])(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)F)F.CC(=O)OCC1=NC(=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)F.C1COCCC1CNC2=NC(=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)F.C1COCCN1CC2=NC(=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)F
• InChI: InChI=1S/C26H24ClFN4O2.C25H22ClFN4O2.C23H17ClFN3O3.C21H15ClFN3O.2C20H12ClF2N3O/c27-19-7-5-18(6-8-19)16-32-26(33)21-4-2-1-3-20(21)24(31-32)22-9-10-23(30-25(22)28)29-15-17-11-13-34-14-12-17;26-18-7-5-17(6-8-18)15-31-25(32)21-4-2-1-3-20(21)23(29-31)22-10-9-19(28-24(22)27)16-30-11-13-33-14-12-30;1-14(29)31-13-17-10-11-20(22(25)26-17)21-18-4-2-3-5-19(18)23(30)28(27-21)12-15-6-8-16(24)9-7-15;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;2*21-13-7-5-12(6-8-13)11-26-20(27)15-4-2-1-3-14(15)18(25-26)16-9-10-17(22)24-19(16)23/h1-10,17H,11-16H2,(H,29,30);1-10H,11-16H2;2-11H,12-13H2,1H3;2-11H,12H2,1H3;2*1-10H,11H2/i;;;12D2;11D2;11D
• InChIKey: YMWWWWIRALFTOH-ROANCAALSA-N
• XLogP: —
• TPSA: 333.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: 3290

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2534.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

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-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate?

The IUPAC name of 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate (CID 161959394) is 2-[(4-chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate.

What is the SMILES notation for 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate?

The canonical SMILES for 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate is [2H]C(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)F)F.[2H]C([2H])(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)C)F.[2H]C([2H])(C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(N=C(C=C4)F)F.CC(=O)OCC1=NC(=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)F.C1COCCC1CNC2=NC(=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)F.C1COCCN1CC2=NC(=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)F.

What is the InChIKey of 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate?

The InChIKey is YMWWWWIRALFTOH-ROANCAALSA-N. The full InChI is InChI=1S/C26H24ClFN4O2.C25H22ClFN4O2.C23H17ClFN3O3.C21H15ClFN3O.2C20H12ClF2N3O/c27-19-7-5-18(6-8-19)16-32-26(33)21-4-2-1-3-20(21)24(31-32)22-9-10-23(30-25(22)28)29-15-17-11-13-34-14-12-17;26-18-7-5-17(6-8-18)15-31-25(32)21-4-2-1-3-20(21)23(29-31)22-10-9-19(28-24(22)27)16-30-11-13-33-14-12-30;1-14(29)31-13-17-10-11-20(22(25)26-17)21-18-4-2-3-5-19(18)23(30)28(27-21)12-15-6-8-16(24)9-7-15;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;2*21-13-7-5-12(6-8-13)11-26-20(27)15-4-2-1-3-14(15)18(25-26)16-9-10-17(22)24-19(16)23/h1-10,17H,11-16H2,(H,29,30);1-10H,11-16H2;2-11H,12-13H2,1H3;2-11H,12H2,1H3;2*1-10H,11H2/i;;;12D2;11D2;11D.

What are the key properties of 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate?

2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate has a molecular weight of 2534.10 g/mol, XLogP of not available, 26 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-Chlorophenyl)-deuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2,6-difluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)-dideuteriomethyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxan-4-ylmethylamino)-3-pyridinyl]phthalazin-1-one;[5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]methyl acetate is sourced from PubChem (CID 161959394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).