6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride

C90H89BCl6F2N30O11 — CID 158601674

About 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride

6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride (PubChem CID 158601674) has the molecular formula C90H89BCl6F2N30O11 and a molecular weight of 2028.43 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride
• PubChem CID: 158601674
• Molecular Formula: C90H89BCl6F2N30O11
• Molecular Weight: 2028.43 g/mol
• Exact Mass: 2024.55
• IUPAC Name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride
• SMILES: CCOC(=O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.CCOC(=O)c1cn(Cc2cn3nc(Cl)ccc3n2)cn1.CCOC(=O)c1cnc[nH]1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.O=C(O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.OB(O)C1CC1
• InChI: InChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13N5O2.C13H12ClN5O2.C8H7ClFN3.C7H5Cl2N3.C6H8N2O2.C3H7BO2.ClH/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14;1-2-23-16(22)14-9-20(10-17-14)7-12-8-21-15(18-12)6-5-13(19-21)11-3-4-11;20-14(21)12-7-18(8-15-12)5-10-6-19-13(16-10)4-3-11(17-19)9-1-2-9;1-2-21-13(20)10-7-18(8-15-10)5-9-6-19-12(16-9)4-3-11(14)17-19;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-3-5-4-12-7(10-5)2-1-6(9)11-12;1-2-10-6(9)5-3-7-4-8-5;5-4(6)3-1-2-3;/h4,6-8,10-14H,1-3,5,9H2;5-6,8-11H,2-4,7H2,1H3;3-4,6-9H,1-2,5H2,(H,20,21);3-4,6-8H,2,5H2,1H3;1-2,4H,3,11H2;1-2,4H,3H2;3-4H,2H2,1H3,(H,7,8);3,5-6H,1-2H2;1H
• InChIKey: NUGICUDXZXFMEL-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 485.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.43
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The IUPAC name of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride (CID 158601674) is 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride.

What is the SMILES notation for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The canonical SMILES for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride is CCOC(=O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.CCOC(=O)c1cn(Cc2cn3nc(Cl)ccc3n2)cn1.CCOC(=O)c1cnc[nH]1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.O=C(O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.OB(O)C1CC1.

What is the InChIKey of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The InChIKey is NUGICUDXZXFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13N5O2.C13H12ClN5O2.C8H7ClFN3.C7H5Cl2N3.C6H8N2O2.C3H7BO2.ClH/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14;1-2-23-16(22)14-9-20(10-17-14)7-12-8-21-15(18-12)6-5-13(19-21)11-3-4-11;20-14(21)12-7-18(8-15-12)5-10-6-19-13(16-10)4-3-11(17-19)9-1-2-9;1-2-21-13(20)10-7-18(8-15-10)5-9-6-19-12(16-9)4-3-11(14)17-19;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-3-5-4-12-7(10-5)2-1-6(9)11-12;1-2-10-6(9)5-3-7-4-8-5;5-4(6)3-1-2-3;/h4,6-8,10-14H,1-3,5,9H2;5-6,8-11H,2-4,7H2,1H3;3-4,6-9H,1-2,5H2,(H,20,21);3-4,6-8H,2,5H2,1H3;1-2,4H,3,11H2;1-2,4H,3H2;3-4H,2H2,1H3,(H,7,8);3,5-6H,1-2H2;1H.

What are the key properties of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride has a molecular weight of 2028.43 g/mol, XLogP of 13.83, 25 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 158601674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).