6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide

C129H156Cl6F2IN28O11- — CID 159102697

About 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide

6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide (PubChem CID 159102697) has the molecular formula C129H156Cl6F2IN28O11- and a molecular weight of 2652.47 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide
• PubChem CID: 159102697
• Molecular Formula: C129H156Cl6F2IN28O11-
• Molecular Weight: 2652.47 g/mol
• Exact Mass: 2647.97
• IUPAC Name: 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide
• SMILES: CC(=O)NC(C)(C)c1ccc(Cl)nc1.CC(C)(O)c1ccc(Cl)nc1.CCNC(C)(C)c1ccc(Cl)nc1.CCNC(C)(C)c1ccc(N)nc1.CCNC(C)(C)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1.CCNC(C)(C)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3COC(C)=O)nn(C)c2=O)nc1.CCNC(C)(C)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1.O=C(Cl)c1ccc(Cl)nc1.[I-]
• InChI: InChI=1S/C36H40FN7O4.C34H38FN7O3.C15H20ClN5O.C10H13ClN2O.C10H15ClN2.C10H17N3.C8H10ClNO.C6H3Cl2NO.HI/c1-9-39-36(6,7)23-13-14-31(38-19-23)41-29-17-28(42-43(8)33(29)46)25-11-10-12-30(26(25)20-48-21(2)45)44-34(47)32-22(18-40-44)15-24(16-27(32)37)35(3,4)5;1-8-37-34(5,6)21-12-13-29(36-18-21)39-27-16-26(40-41(7)31(27)44)23-10-9-11-28(24(23)19-43)42-32(45)30-20(17-38-42)14-22(15-25(30)35)33(2,3)4;1-5-18-15(2,3)10-6-7-13(17-9-10)19-11-8-12(16)20-21(4)14(11)22;1-7(14)13-10(2,3)8-4-5-9(11)12-6-8;2*1-4-13-10(2,3)8-5-6-9(11)12-7-8;1-8(2,11)6-3-4-7(9)10-5-6;7-5-2-1-4(3-9-5)6(8)10;/h10-19,39H,9,20H2,1-8H3,(H,38,41);9-18,37,43H,8,19H2,1-7H3,(H,36,39);6-9,18H,5H2,1-4H3,(H,17,19);4-6H,1-3H3,(H,13,14);5-7,13H,4H2,1-3H3;5-7,13H,4H2,1-3H3,(H2,11,12);3-5,11H,1-2H3;1-3H;1H/p-1
• InChIKey: HBXKURKBQNJNFZ-UHFFFAOYSA-M
• XLogP: 20.38
• TPSA: 512.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.47
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide?

The IUPAC name of 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide (CID 159102697) is 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide.

What is the SMILES notation for 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide?

The canonical SMILES for 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide is CC(=O)NC(C)(C)c1ccc(Cl)nc1.CC(C)(O)c1ccc(Cl)nc1.CCNC(C)(C)c1ccc(Cl)nc1.CCNC(C)(C)c1ccc(N)nc1.CCNC(C)(C)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1.CCNC(C)(C)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3COC(C)=O)nn(C)c2=O)nc1.CCNC(C)(C)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1.O=C(Cl)c1ccc(Cl)nc1.[I-].

What is the InChIKey of 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide?

The InChIKey is HBXKURKBQNJNFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H40FN7O4.C34H38FN7O3.C15H20ClN5O.C10H13ClN2O.C10H15ClN2.C10H17N3.C8H10ClNO.C6H3Cl2NO.HI/c1-9-39-36(6,7)23-13-14-31(38-19-23)41-29-17-28(42-43(8)33(29)46)25-11-10-12-30(26(25)20-48-21(2)45)44-34(47)32-22(18-40-44)15-24(16-27(32)37)35(3,4)5;1-8-37-34(5,6)21-12-13-29(36-18-21)39-27-16-26(40-41(7)31(27)44)23-10-9-11-28(24(23)19-43)42-32(45)30-20(17-38-42)14-22(15-25(30)35)33(2,3)4;1-5-18-15(2,3)10-6-7-13(17-9-10)19-11-8-12(16)20-21(4)14(11)22;1-7(14)13-10(2,3)8-4-5-9(11)12-6-8;2*1-4-13-10(2,3)8-5-6-9(11)12-7-8;1-8(2,11)6-3-4-7(9)10-5-6;7-5-2-1-4(3-9-5)6(8)10;/h10-19,39H,9,20H2,1-8H3,(H,38,41);9-18,37,43H,8,19H2,1-7H3,(H,36,39);6-9,18H,5H2,1-4H3,(H,17,19);4-6H,1-3H3,(H,13,14);5-7,13H,4H2,1-3H3;5-7,13H,4H2,1-3H3,(H2,11,12);3-5,11H,1-2H3;1-3H;1H/p-1.

What are the key properties of 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide?

6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide has a molecular weight of 2652.47 g/mol, XLogP of 20.38, 32 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluorophthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate;6-chloro-4-[[5-[2-(ethylamino)propan-2-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)-N-ethylpropan-2-amine;2-(6-chloro-3-pyridinyl)propan-2-ol;N-[2-(6-chloro-3-pyridinyl)propan-2-yl]acetamide;5-[2-(ethylamino)propan-2-yl]pyridin-2-amine;iodide is sourced from PubChem (CID 159102697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).