dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride

C115H121Cl5Li2N34O23 — CID 160721650

About dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride

dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 160721650) has the molecular formula C115H121Cl5Li2N34O23 and a molecular weight of 2538.59 g/mol. Its IUPAC name is dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride
• PubChem CID: 160721650
• Molecular Formula: C115H121Cl5Li2N34O23
• Molecular Weight: 2538.59 g/mol
• Exact Mass: 2534.81
• IUPAC Name: dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride
• SMILES: CCOC(=O)C(=O)CNC(=O)Cc1cn2nc(C3CC3)ccc2n1.CCOC(=O)C(=O)Cl.CCOC(=O)CC(=O)CCl.CCOC(=O)Cc1cn2nc(C3CC3)ccc2n1.CCOC(=O)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.Cl.NCc1ncn2ccc(Cl)cc12.NOC(=O)Cc1cn2nc(C3CC3)ccc2n1.Nc1ccc(C2CC2)nn1.O=C(CCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.O=C([O-])c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.[Li+].[Li+].[OH-]
• InChI: InChI=1S/C22H18ClN7O2.C16H18N4O4.C15H15N5O3.C13H11N5O3.C13H15N3O2.C11H12N4O2.C8H8ClN3.C7H9N3.C6H9ClO3.C4H5ClO3.ClH.2Li.H2O/c23-14-7-8-29-12-24-17(18(29)9-14)3-5-19(31)22-27-26-21(32-22)10-15-11-30-20(25-15)6-4-16(28-30)13-1-2-13;1-2-24-16(23)13(21)8-17-15(22)7-11-9-20-14(18-11)6-5-12(19-20)10-3-4-10;1-2-22-15(21)14-18-17-13(23-14)7-10-8-20-12(16-10)6-5-11(19-20)9-3-4-9;19-13(20)12-16-15-11(21-12)5-8-6-18-10(14-8)4-3-9(17-18)7-1-2-7;1-2-18-13(17)7-10-8-16-12(14-10)6-5-11(15-16)9-3-4-9;12-17-11(16)5-8-6-15-10(13-8)4-3-9(14-15)7-1-2-7;9-6-1-2-12-5-11-7(4-10)8(12)3-6;8-7-4-3-6(9-10-7)5-1-2-5;1-2-10-6(9)3-5(8)4-7;1-2-8-4(7)3(5)6;;;;/h4,6-9,11-13H,1-3,5,10H2;5-6,9-10H,2-4,7-8H2,1H3,(H,17,22);5-6,8-9H,2-4,7H2,1H3;3-4,6-7H,1-2,5H2,(H,19,20);5-6,8-9H,2-4,7H2,1H3;3-4,6-7H,1-2,5,12H2;1-3,5H,4,10H2;3-5H,1-2H2,(H2,8,10);2-4H2,1H3;2H2,1H3;1H;;;1H2/q;;;;;;;;;;;2*+1;/p-2
• InChIKey: GXLWYUIYKQLVOA-UHFFFAOYSA-L
• XLogP: 5.77
• TPSA: 761.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 56
• Rotatable Bonds: 38
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.59
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride?

The IUPAC name of dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride (CID 160721650) is dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride is CCOC(=O)C(=O)CNC(=O)Cc1cn2nc(C3CC3)ccc2n1.CCOC(=O)C(=O)Cl.CCOC(=O)CC(=O)CCl.CCOC(=O)Cc1cn2nc(C3CC3)ccc2n1.CCOC(=O)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.Cl.NCc1ncn2ccc(Cl)cc12.NOC(=O)Cc1cn2nc(C3CC3)ccc2n1.Nc1ccc(C2CC2)nn1.O=C(CCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.O=C([O-])c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.[Li+].[Li+].[OH-].

What is the InChIKey of dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride?

The InChIKey is GXLWYUIYKQLVOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H18ClN7O2.C16H18N4O4.C15H15N5O3.C13H11N5O3.C13H15N3O2.C11H12N4O2.C8H8ClN3.C7H9N3.C6H9ClO3.C4H5ClO3.ClH.2Li.H2O/c23-14-7-8-29-12-24-17(18(29)9-14)3-5-19(31)22-27-26-21(32-22)10-15-11-30-20(25-15)6-4-16(28-30)13-1-2-13;1-2-24-16(23)13(21)8-17-15(22)7-11-9-20-14(18-11)6-5-12(19-20)10-3-4-10;1-2-22-15(21)14-18-17-13(23-14)7-10-8-20-12(16-10)6-5-11(19-20)9-3-4-9;19-13(20)12-16-15-11(21-12)5-8-6-18-10(14-8)4-3-9(17-18)7-1-2-7;1-2-18-13(17)7-10-8-16-12(14-10)6-5-11(15-16)9-3-4-9;12-17-11(16)5-8-6-15-10(13-8)4-3-9(14-15)7-1-2-7;9-6-1-2-12-5-11-7(4-10)8(12)3-6;8-7-4-3-6(9-10-7)5-1-2-5;1-2-10-6(9)3-5(8)4-7;1-2-8-4(7)3(5)6;;;;/h4,6-9,11-13H,1-3,5,10H2;5-6,9-10H,2-4,7-8H2,1H3,(H,17,22);5-6,8-9H,2-4,7H2,1H3;3-4,6-7H,1-2,5H2,(H,19,20);5-6,8-9H,2-4,7H2,1H3;3-4,6-7H,1-2,5,12H2;1-3,5H,4,10H2;3-5H,1-2H2,(H2,8,10);2-4H2,1H3;2H2,1H3;1H;;;1H2/q;;;;;;;;;;;2*+1;/p-2.

What are the key properties of dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride?

dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2538.59 g/mol, XLogP of 5.77, 38 rotatable bonds, 4 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;amino 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;6-cyclopropylpyridazin-3-amine;ethyl 2-chloro-2-oxoacetate;ethyl 4-chloro-3-oxobutanoate;ethyl 2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetate;ethyl 3-[[2-(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)acetyl]amino]-2-oxopropanoate;ethyl 5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 160721650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).