4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine

C89H100BBrCl2F2N18O16 — CID 161356112

About 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine

4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine (PubChem CID 161356112) has the molecular formula C89H100BBrCl2F2N18O16 and a molecular weight of 1877.51 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine
• PubChem CID: 161356112
• Molecular Formula: C89H100BBrCl2F2N18O16
• Molecular Weight: 1877.51 g/mol
• Exact Mass: 1874.62
• IUPAC Name: 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine
• SMILES: CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC1(C)OC[C@H](c2cnc(N)cn2)O1.Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2cnc([C@H]3COC(C)(C)O3)cn2)c1=O.Cn1nc(Cl)cc(Br)c1=O.Cn1nc(Cl)cc(Nc2ccc([C@H]3COC(C)(C)O3)cn2)c1=O
• InChI: InChI=1S/C33H34FN7O5.C27H32BFN2O5.C15H17ClN4O3.C9H13N3O2.C5H4BrClN2O/c1-32(2,3)19-10-18-13-37-41(31(44)29(18)22(34)11-19)26-9-7-8-20(21(26)16-42)23-12-24(30(43)40(6)39-23)38-28-15-35-25(14-36-28)27-17-45-33(4,5)46-27;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;1-15(2)22-8-11(23-15)9-4-5-13(17-7-9)18-10-6-12(16)19-20(3)14(10)21;1-9(2)13-5-7(14-9)6-3-12-8(10)4-11-6;1-9-5(10)3(6)2-4(7)8-9/h7-15,27,42H,16-17H2,1-6H3,(H,36,38);9-14H,15H2,1-8H3;4-7,11H,8H2,1-3H3,(H,17,18);3-4,7H,5H2,1-2H3,(H2,10,12);2H,1H3/t27-;;11-;7-;/m1.11./s1
• InChIKey: VOOKDIMNJBDFRN-OJOGJISKSA-N
• XLogP: 13.09
• TPSA: 409.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.51
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?

The IUPAC name of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine (CID 161356112) is 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine.

What is the SMILES notation for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?

The canonical SMILES for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine is CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC1(C)OC[C@H](c2cnc(N)cn2)O1.Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2cnc([C@H]3COC(C)(C)O3)cn2)c1=O.Cn1nc(Cl)cc(Br)c1=O.Cn1nc(Cl)cc(Nc2ccc([C@H]3COC(C)(C)O3)cn2)c1=O.

What is the InChIKey of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?

The InChIKey is VOOKDIMNJBDFRN-OJOGJISKSA-N. The full InChI is InChI=1S/C33H34FN7O5.C27H32BFN2O5.C15H17ClN4O3.C9H13N3O2.C5H4BrClN2O/c1-32(2,3)19-10-18-13-37-41(31(44)29(18)22(34)11-19)26-9-7-8-20(21(26)16-42)23-12-24(30(43)40(6)39-23)38-28-15-35-25(14-36-28)27-17-45-33(4,5)46-27;1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4;1-15(2)22-8-11(23-15)9-4-5-13(17-7-9)18-10-6-12(16)19-20(3)14(10)21;1-9(2)13-5-7(14-9)6-3-12-8(10)4-11-6;1-9-5(10)3(6)2-4(7)8-9/h7-15,27,42H,16-17H2,1-6H3,(H,36,38);9-14H,15H2,1-8H3;4-7,11H,8H2,1-3H3,(H,17,18);3-4,7H,5H2,1-2H3,(H2,10,12);2H,1H3/t27-;;11-;7-;/m1.11./s1.

What are the key properties of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?

4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine has a molecular weight of 1877.51 g/mol, XLogP of 13.09, 14 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-2-[3-[5-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate;6-chloro-4-[[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine is sourced from PubChem (CID 161356112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).