3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C99H87BrCl3N33O5 — CID 172949304

About 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 172949304) has the molecular formula C99H87BrCl3N33O5 and a molecular weight of 2005.27 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• PubChem CID: 172949304
• Molecular Formula: C99H87BrCl3N33O5
• Molecular Weight: 2005.27 g/mol
• Exact Mass: 2001.58
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• SMILES: C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.C=C(OCC)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.CC(=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.Clc1ccc2ncc(Br)n2n1.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)ccc21.Cn1ncc2cc(C=O)ccc21.Cn1ncc2cc(Cc3cnc4ccc(Cl)nn34)ccc21
• InChI: InChI=1S/C19H19N5O.C18H18N8O.C17H15N5O.C15H12ClN5O.C15H12ClN5.C9H8N2O.C6H3BrClN3/c1-4-25-13(2)17-6-8-19-20-12-16(24(19)22-17)10-14-5-7-18-15(9-14)11-21-23(18)3;1-11(22-23-18(19)27)15-4-6-17-20-10-14(26(17)24-15)8-12-3-5-16-13(7-12)9-21-25(16)2;1-11(23)15-4-6-17-18-10-14(22(17)20-15)8-12-3-5-16-13(7-12)9-19-21(16)2;1-20-11-3-2-9(6-10(11)7-18-20)15(22)12-8-17-14-5-4-13(16)19-21(12)14;1-20-13-3-2-10(6-11(13)8-18-20)7-12-9-17-15-5-4-14(16)19-21(12)15;1-11-9-3-2-7(6-12)4-8(9)5-10-11;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-9,11-12H,2,4,10H2,1,3H3;3-7,9-10H,8H2,1-2H3,(H3,19,23,27);3-7,9-10H,8H2,1-2H3;2-8,15,22H,1H3;2-6,8-9H,7H2,1H3;2-6H,1H3;1-3H/b;22-11+
• InChIKey: CQZFPTJMWSOSJC-XXIZSYEWSA-N
• XLogP: 15.96
• TPSA: 419.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.27
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 172949304) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.C=C(OCC)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.CC(=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1.Clc1ccc2ncc(Br)n2n1.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)ccc21.Cn1ncc2cc(C=O)ccc21.Cn1ncc2cc(Cc3cnc4ccc(Cl)nn34)ccc21.

What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The InChIKey is CQZFPTJMWSOSJC-XXIZSYEWSA-N. The full InChI is InChI=1S/C19H19N5O.C18H18N8O.C17H15N5O.C15H12ClN5O.C15H12ClN5.C9H8N2O.C6H3BrClN3/c1-4-25-13(2)17-6-8-19-20-12-16(24(19)22-17)10-14-5-7-18-15(9-14)11-21-23(18)3;1-11(22-23-18(19)27)15-4-6-17-20-10-14(26(17)24-15)8-12-3-5-16-13(7-12)9-21-25(16)2;1-11(23)15-4-6-17-18-10-14(22(17)20-15)8-12-3-5-16-13(7-12)9-19-21(16)2;1-20-11-3-2-9(6-10(11)7-18-20)15(22)12-8-17-14-5-4-13(16)19-21(12)14;1-20-13-3-2-10(6-11(13)8-18-20)7-12-9-17-15-5-4-14(16)19-21(12)15;1-11-9-3-2-7(6-12)4-8(9)5-10-11;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-9,11-12H,2,4,10H2,1,3H3;3-7,9-10H,8H2,1-2H3,(H3,19,23,27);3-7,9-10H,8H2,1-2H3;2-8,15,22H,1H3;2-6,8-9H,7H2,1H3;2-6H,1H3;1-3H/b;22-11+;;;;;.

What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 2005.27 g/mol, XLogP of 15.96, 17 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(1-methylindazol-5-yl)methanol;6-chloro-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-(1-ethoxyethenyl)-3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-methylindazole-5-carbaldehyde;1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172949304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).