4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine

C103H128BBrCl2F2N26O13 — CID 158062567

About 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine

4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 158062567) has the molecular formula C103H128BBrCl2F2N26O13 and a molecular weight of 2137.94 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine
• PubChem CID: 158062567
• Molecular Formula: C103H128BBrCl2F2N26O13
• Molecular Weight: 2137.94 g/mol
• Exact Mass: 2134.88
• IUPAC Name: 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine
• SMILES: CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CCO.CN1CCN(c2ccc(N)nc2)CC1.CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)nn(C)c3=O)nc2)CC1.CN1CCN(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1.CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1.Cn1nc(Cl)cc(Br)c1=O
• InChI: InChI=1S/C34H37FN8O3.C27H32BFN2O5.C15H19ClN6O.C10H14N4O2.C10H16N4.C5H4BrClN2O.C2H6O/c1-34(2,3)22-15-21-18-37-43(33(46)31(21)26(35)16-22)29-8-6-7-24(25(29)20-44)27-17-28(32(45)41(5)39-27)38-30-10-9-23(19-36-30)42-13-11-40(4)12-14-42;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;1-20-5-7-22(8-6-20)11-3-4-14(17-10-11)18-12-9-13(16)19-21(2)15(12)23;1-12-4-6-13(7-5-12)9-2-3-10(11-8-9)14(15)16;1-13-4-6-14(7-5-13)9-2-3-10(11)12-8-9;1-9-5(10)3(6)2-4(7)8-9;1-2-3/h6-10,15-19,44H,11-14,20H2,1-5H3,(H,36,38);9-14H,15H2,1-8H3;3-4,9-10H,5-8H2,1-2H3,(H,17,18);2-3,8H,4-7H2,1H3;2-3,8H,4-7H2,1H3,(H2,11,12);2H,1H3;3H,2H2,1H3
• InChIKey: FKVCFJZJXGXDFY-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 430.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.94
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine?

The IUPAC name of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 158062567) is 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine.

What is the SMILES notation for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine?

The canonical SMILES for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine is CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CCO.CN1CCN(c2ccc(N)nc2)CC1.CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)nn(C)c3=O)nc2)CC1.CN1CCN(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1.CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1.Cn1nc(Cl)cc(Br)c1=O.

What is the InChIKey of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine?

The InChIKey is FKVCFJZJXGXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN8O3.C27H32BFN2O5.C15H19ClN6O.C10H14N4O2.C10H16N4.C5H4BrClN2O.C2H6O/c1-34(2,3)22-15-21-18-37-43(33(46)31(21)26(35)16-22)29-8-6-7-24(25(29)20-44)27-17-28(32(45)41(5)39-27)38-30-10-9-23(19-36-30)42-13-11-40(4)12-14-42;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;1-20-5-7-22(8-6-20)11-3-4-14(17-10-11)18-12-9-13(16)19-21(2)15(12)23;1-12-4-6-13(7-5-12)9-2-3-10(11-8-9)14(15)16;1-13-4-6-14(7-5-13)9-2-3-10(11)12-8-9;1-9-5(10)3(6)2-4(7)8-9;1-2-3/h6-10,15-19,44H,11-14,20H2,1-5H3,(H,36,38);9-14H,15H2,1-8H3;3-4,9-10H,5-8H2,1-2H3,(H,17,18);2-3,8H,4-7H2,1H3;2-3,8H,4-7H2,1H3,(H2,11,12);2H,1H3;3H,2H2,1H3.

What are the key properties of 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine?

4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 2137.94 g/mol, XLogP of 11.83, 16 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-chloro-2-methylpyridazin-3-one;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-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-2-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazin-3-one;ethanol;1-methyl-4-(6-nitro-3-pyridinyl)piperazine;5-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 158062567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).