2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)

C83H63BCl4IN13O2P2PdS3 — CID 157499394

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane) (PubChem CID 157499394) has the molecular formula C83H63BCl4IN13O2P2PdS3 and a molecular weight of 1818.60 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)
• PubChem CID: 157499394
• Molecular Formula: C83H63BCl4IN13O2P2PdS3
• Molecular Weight: 1818.60 g/mol
• Exact Mass: 1815.08
• IUPAC Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)
• SMILES: Cc1ccc(Nc2ccc3ncc(-c4cc5cccnc5s4)n3n2)cc1C.Cl[Pd]Cl.Clc1ccc2ncc(-c3cc4cccnc4s3)n2n1.Clc1ccc2ncc(I)n2n1.OB(O)c1cc2cccnc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H17N5S.2C18H15P.C13H7ClN4S.C7H6BNO2S.C6H3ClIN3.2ClH.Pd/c1-13-5-6-16(10-14(13)2)24-19-7-8-20-23-12-17(26(20)25-19)18-11-15-4-3-9-22-21(15)27-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-11-3-4-12-16-7-9(18(12)17-11)10-6-8-2-1-5-15-13(8)19-10;10-8(11)6-4-5-2-1-3-9-7(5)12-6;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h3-12H,1-2H3,(H,24,25);2*1-15H;1-7H;1-4,10-11H;1-3H;2*1H;/q;;;;;;;;+2/p-2
• InChIKey: BYFMUCGJGOLWPS-UHFFFAOYSA-L
• XLogP: 19.26
• TPSA: 181.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.60
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane) (CID 157499394) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane).

What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane) is Cc1ccc(Nc2ccc3ncc(-c4cc5cccnc5s4)n3n2)cc1C.Cl[Pd]Cl.Clc1ccc2ncc(-c3cc4cccnc4s3)n2n1.Clc1ccc2ncc(I)n2n1.OB(O)c1cc2cccnc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The InChIKey is BYFMUCGJGOLWPS-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H17N5S.2C18H15P.C13H7ClN4S.C7H6BNO2S.C6H3ClIN3.2ClH.Pd/c1-13-5-6-16(10-14(13)2)24-19-7-8-20-23-12-17(26(20)25-19)18-11-15-4-3-9-22-21(15)27-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-11-3-4-12-16-7-9(18(12)17-11)10-6-8-2-1-5-15-13(8)19-10;10-8(11)6-4-5-2-1-3-9-7(5)12-6;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h3-12H,1-2H3,(H,24,25);2*1-15H;1-7H;1-4,10-11H;1-3H;2*1H;/q;;;;;;;;+2/p-2.

What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane) has a molecular weight of 1818.60 g/mol, XLogP of 19.26, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;thieno[2,3-b]pyridin-2-ylboronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 157499394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).