lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride

C87H90BCl9F2LiN43O14 — CID 157131401

About lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride

lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride (PubChem CID 157131401) has the molecular formula C87H90BCl9F2LiN43O14 and a molecular weight of 2336.79 g/mol. Its IUPAC name is lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride
• PubChem CID: 157131401
• Molecular Formula: C87H90BCl9F2LiN43O14
• Molecular Weight: 2336.79 g/mol
• Exact Mass: 2331.51
• IUPAC Name: lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride
• SMILES: CCOC(=O)c1nn[nH]n1.CCOC(=O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.CCOC(=O)c1nnn(Cc2cn3nc(Cl)ccc3n2)n1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.Nc1ccc(Cl)nn1.O.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.O=C(CCl)CCl.O=C(O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.OB(O)C1CC1.[Li+].[OH-]
• InChI: InChI=1S/C21H17ClFN9O.C14H15N7O2.C12H11N7O2.C11H10ClN7O2.C8H7ClFN3.C7H5Cl2N3.C4H4ClN3.C4H6N4O2.C3H7BO2.C3H4Cl2O.ClH.Li.2H2O/c22-14-7-8-30-11-24-16(20(30)19(14)23)3-5-17(33)21-26-29-32(28-21)10-13-9-31-18(25-13)6-4-15(27-31)12-1-2-12;1-2-23-14(22)13-16-19-21(18-13)8-10-7-20-12(15-10)6-5-11(17-20)9-3-4-9;20-12(21)11-14-17-19(16-11)6-8-5-18-10(13-8)4-3-9(15-18)7-1-2-7;1-2-21-11(20)10-14-17-19(16-10)6-7-5-18-9(13-7)4-3-8(12)15-18;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;5-3-1-2-4(6)8-7-3;1-2-10-4(9)3-5-7-8-6-3;5-4(6)3-1-2-3;4-1-3(6)2-5;;;;/h4,6-9,11-12H,1-3,5,10H2;5-7,9H,2-4,8H2,1H3;3-5,7H,1-2,6H2,(H,20,21);3-5H,2,6H2,1H3;1-2,4H,3,11H2;1-2,4H,3H2;1-2H,(H2,6,8);2H2,1H3,(H,5,6,7,8);3,5-6H,1-2H2;1-2H2;1H;;2*1H2/q;;;;;;;;;;;+1;;/p-1
• InChIKey: QUSRPWYNLUNZPP-UHFFFAOYSA-M
• XLogP: 5.53
• TPSA: 744.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.79
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

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 lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride?

The IUPAC name of lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride (CID 157131401) is lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride.

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

The canonical SMILES for lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride is CCOC(=O)c1nn[nH]n1.CCOC(=O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.CCOC(=O)c1nnn(Cc2cn3nc(Cl)ccc3n2)n1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.Nc1ccc(Cl)nn1.O.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.O=C(CCl)CCl.O=C(O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.OB(O)C1CC1.[Li+].[OH-].

What is the InChIKey of lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride?

The InChIKey is QUSRPWYNLUNZPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17ClFN9O.C14H15N7O2.C12H11N7O2.C11H10ClN7O2.C8H7ClFN3.C7H5Cl2N3.C4H4ClN3.C4H6N4O2.C3H7BO2.C3H4Cl2O.ClH.Li.2H2O/c22-14-7-8-30-11-24-16(20(30)19(14)23)3-5-17(33)21-26-29-32(28-21)10-13-9-31-18(25-13)6-4-15(27-31)12-1-2-12;1-2-23-14(22)13-16-19-21(18-13)8-10-7-20-12(15-10)6-5-11(17-20)9-3-4-9;20-12(21)11-14-17-19(16-11)6-8-5-18-10(13-8)4-3-9(15-18)7-1-2-7;1-2-21-11(20)10-14-17-19(16-10)6-7-5-18-9(13-7)4-3-8(12)15-18;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;5-3-1-2-4(6)8-7-3;1-2-10-4(9)3-5-7-8-6-3;5-4(6)3-1-2-3;4-1-3(6)2-5;;;;/h4,6-9,11-12H,1-3,5,10H2;5-7,9H,2-4,8H2,1H3;3-5,7H,1-2,6H2,(H,20,21);3-5H,2,6H2,1H3;1-2,4H,3,11H2;1-2,4H,3H2;1-2H,(H2,6,8);2H2,1H3,(H,5,6,7,8);3,5-6H,1-2H2;1-2H2;1H;;2*1H2/q;;;;;;;;;;;+1;;/p-1.

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

lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride has a molecular weight of 2336.79 g/mol, XLogP of 5.53, 27 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;6-chloropyridazin-3-amine;cyclopropylboronic acid;2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate;ethyl 2H-tetrazole-5-carboxylate;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 157131401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).