lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride

C83H81Cl4F2LiN35NaO8 — CID 159370602

About lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride

lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride (PubChem CID 159370602) has the molecular formula C83H81Cl4F2LiN35NaO8 and a molecular weight of 1906.54 g/mol. Its IUPAC name is lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride
• PubChem CID: 159370602
• Molecular Formula: C83H81Cl4F2LiN35NaO8
• Molecular Weight: 1906.54 g/mol
• Exact Mass: 1903.58
• IUPAC Name: lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride
• SMILES: C#CC(=O)OCC.CCOC(=O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.Cl.ClCc1cn2nc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.[Li+].[N-]=[N+]=NCc1cn2nc(C3CC3)ccc2n1.[N-]=[N+]=[N-].[Na+].[OH-]
• InChI: InChI=1S/C22H18ClFN8O.C15H16N6O2.C13H12N6O2.C10H10ClN3.C10H10N6.C8H7ClFN3.C5H6O2.ClH.Li.N3.Na.H2O/c23-15-7-8-30-12-25-17(22(30)21(15)24)3-5-19(33)18-11-31(29-27-18)9-14-10-32-20(26-14)6-4-16(28-32)13-1-2-13;1-2-23-15(22)13-9-20(19-17-13)7-11-8-21-14(16-11)6-5-12(18-21)10-3-4-10;20-13(21)11-7-18(17-15-11)5-9-6-19-12(14-9)4-3-10(16-19)8-1-2-8;11-5-8-6-14-10(12-8)4-3-9(13-14)7-1-2-7;11-15-12-5-8-6-16-10(13-8)4-3-9(14-16)7-1-2-7;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-5(6)7-4-2;;;1-3-2;;/h4,6-8,10-13H,1-3,5,9H2;5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,1-2,5H2,(H,20,21);3-4,6-7H,1-2,5H2;3-4,6-7H,1-2,5H2;1-2,4H,3,11H2;1H,4H2,2H3;1H;;;;1H2/q;;;;;;;;+1;-1;+1;/p-1
• InChIKey: KUPNHJVIUVVNLR-UHFFFAOYSA-M
• XLogP: 7.52
• TPSA: 548.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.54
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride?

The IUPAC name of lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride (CID 159370602) is lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride.

What is the SMILES notation for lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride?

The canonical SMILES for lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride is C#CC(=O)OCC.CCOC(=O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.Cl.ClCc1cn2nc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.[Li+].[N-]=[N+]=NCc1cn2nc(C3CC3)ccc2n1.[N-]=[N+]=[N-].[Na+].[OH-].

What is the InChIKey of lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride?

The InChIKey is KUPNHJVIUVVNLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18ClFN8O.C15H16N6O2.C13H12N6O2.C10H10ClN3.C10H10N6.C8H7ClFN3.C5H6O2.ClH.Li.N3.Na.H2O/c23-15-7-8-30-12-25-17(22(30)21(15)24)3-5-19(33)18-11-31(29-27-18)9-14-10-32-20(26-14)6-4-16(28-32)13-1-2-13;1-2-23-15(22)13-9-20(19-17-13)7-11-8-21-14(16-11)6-5-12(18-21)10-3-4-10;20-13(21)11-7-18(17-15-11)5-9-6-19-12(14-9)4-3-10(16-19)8-1-2-8;11-5-8-6-14-10(12-8)4-3-9(13-14)7-1-2-7;11-15-12-5-8-6-16-10(13-8)4-3-9(14-16)7-1-2-7;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-5(6)7-4-2;;;1-3-2;;/h4,6-8,10-13H,1-3,5,9H2;5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,1-2,5H2,(H,20,21);3-4,6-7H,1-2,5H2;3-4,6-7H,1-2,5H2;1-2,4H,3,11H2;1H,4H2,2H3;1H;;;;1H2/q;;;;;;;;+1;-1;+1;/p-1.

What are the key properties of lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride?

lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride has a molecular weight of 1906.54 g/mol, XLogP of 7.52, 23 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;2-(azidomethyl)-6-cyclopropylimidazo[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]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;azide;hydroxide;hydrochloride is sourced from PubChem (CID 159370602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).