6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)

C89H72BCl4IN10O2P2PdS3 — CID 160815711

About 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)

6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) (PubChem CID 160815711) has the molecular formula C89H72BCl4IN10O2P2PdS3 and a molecular weight of 1857.72 g/mol. Its IUPAC name is 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)
• PubChem CID: 160815711
• Molecular Formula: C89H72BCl4IN10O2P2PdS3
• Molecular Weight: 1857.72 g/mol
• Exact Mass: 1854.14
• IUPAC Name: 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)
• SMILES: Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(B(O)O)sc12.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C23H20N4S.2C18H15P.C15H10ClN3S.C9H9BO2S.C6H3ClIN3.2ClH.Pd/c1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14;1-6-3-2-4-7-5-8(10(11)12)13-9(6)7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h4-13H,1-3H3,(H,25,26);2*1-15H;2-8H,1H3;2-5,11-12H,1H3;1-3H;2*1H;/q;;;;;;;;+2/p-2
• InChIKey: SEWIFHPOHOJCPB-UHFFFAOYSA-L
• XLogP: 22.00
• TPSA: 143.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.72
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The IUPAC name of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) (CID 160815711) is 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane).

What is the SMILES notation for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The canonical SMILES for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) is Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(B(O)O)sc12.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The InChIKey is SEWIFHPOHOJCPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H20N4S.2C18H15P.C15H10ClN3S.C9H9BO2S.C6H3ClIN3.2ClH.Pd/c1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14;1-6-3-2-4-7-5-8(10(11)12)13-9(6)7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h4-13H,1-3H3,(H,25,26);2*1-15H;2-8H,1H3;2-5,11-12H,1H3;1-3H;2*1H;/q;;;;;;;;+2/p-2.

What are the key properties of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) has a molecular weight of 1857.72 g/mol, XLogP of 22.00, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 160815711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).