lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide

C139H155Cl6LiN40NaO22- — CID 160866057

IUPAClithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide
SMILESCCO/C=C(\C(=O)CCl)C(=O)OCC.CCOC(=O)CC(=O)CCl.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.CCOC(=O)c1cn[nH]c1CCl.CCOC(C)OCC.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.[C-]#N.[C-]#[N+]Cc1[nH]ncc1C(=O)OCC.[C-]#[N+]Cc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)OCC.[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C26H23ClN10O.C20H21N7O2.C19H19N5O2.C18H17N7O2.C11H11ClN2.C9H13ClO4.C8H8ClN3.C8H9N3O2.C7H9ClN2O2.C6H9ClO3.C6H14O2.CN.Li.Na.2H2O/c27-18-5-6-35-15-30-22(23(35)7-18)9-28-26(38)20-13-37(34-21(20)8-24-29-14-31-33-24)12-19-11-36-10-17(16-1-2-16)3-4-25(36)32-19;1-2-29-20(28)16-11-27(25-17(16)7-18-21-12-22-24-18)10-15-9-26-8-14(13-3-4-13)5-6-19(26)23-15;1-3-26-19(25)16-12-24(22-17(16)8-20-2)11-15-10-23-9-14(13-4-5-13)6-7-18(23)21-15;26-18(27)14-9-25(23-15(14)5-16-19-10-20-22-16)8-13-7-24-6-12(11-1-2-11)3-4-17(24)21-13;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-3-13-6-7(8(11)5-10)9(12)14-4-2;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-3-13-8(12)6-4-10-11-7(6)5-9-2;1-2-12-7(11)5-4-9-10-6(5)3-8;1-2-10-6(9)3-5(8)4-7;1-4-7-6(3)8-5-2;1-2;;;;/h3-7,10-11,13,15-16H,1-2,8-9,12,14H2,(H,28,38);5-6,8-9,11,13H,2-4,7,10,12H2,1H3;6-7,9-10,12-13H,3-5,8,11H2,1H3;3-4,6-7,9,11H,1-2,5,8,10H2,(H,26,27);3-4,6-8H,1-2,5H2;6H,3-5H2,1-2H3;1-3,5H,4,10H2;4H,3,5H2,1H3,(H,10,11);4H,2-3H2,1H3,(H,9,10);2-4H2,1H3;6H,4-5H2,1-3H3;;;;2*1H2/q;;;;;;;;;;;-1;2*+1;;/p-2/b;;;;;7-6+;;;;;;;;;;
InChIKeyPRGAVQLYLSBCOG-KZGDERJSSA-L
MW2980.68 g/mol
LogP16.53
Rot. Bonds50

About lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide

lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide (PubChem CID 160866057) has the molecular formula C139H155Cl6LiN40NaO22- and a molecular weight of 2980.68 g/mol. Its IUPAC name is lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide.

Molecular Properties

Compound Namelithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide
PubChem CID160866057
Molecular FormulaC139H155Cl6LiN40NaO22-
Molecular Weight2980.68 g/mol
Exact Mass2976.04
IUPAC Namelithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide
SMILESCCO/C=C(\C(=O)CCl)C(=O)OCC.CCOC(=O)CC(=O)CCl.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.CCOC(=O)c1cn[nH]c1CCl.CCOC(C)OCC.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.[C-]#N.[C-]#[N+]Cc1[nH]ncc1C(=O)OCC.[C-]#[N+]Cc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)OCC.[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C26H23ClN10O.C20H21N7O2.C19H19N5O2.C18H17N7O2.C11H11ClN2.C9H13ClO4.C8H8ClN3.C8H9N3O2.C7H9ClN2O2.C6H9ClO3.C6H14O2.CN.Li.Na.2H2O/c27-18-5-6-35-15-30-22(23(35)7-18)9-28-26(38)20-13-37(34-21(20)8-24-29-14-31-33-24)12-19-11-36-10-17(16-1-2-16)3-4-25(36)32-19;1-2-29-20(28)16-11-27(25-17(16)7-18-21-12-22-24-18)10-15-9-26-8-14(13-3-4-13)5-6-19(26)23-15;1-3-26-19(25)16-12-24(22-17(16)8-20-2)11-15-10-23-9-14(13-4-5-13)6-7-18(23)21-15;26-18(27)14-9-25(23-15(14)5-16-19-10-20-22-16)8-13-7-24-6-12(11-1-2-11)3-4-17(24)21-13;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-3-13-6-7(8(11)5-10)9(12)14-4-2;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-3-13-8(12)6-4-10-11-7(6)5-9-2;1-2-12-7(11)5-4-9-10-6(5)3-8;1-2-10-6(9)3-5(8)4-7;1-4-7-6(3)8-5-2;1-2;;;;/h3-7,10-11,13,15-16H,1-2,8-9,12,14H2,(H,28,38);5-6,8-9,11,13H,2-4,7,10,12H2,1H3;6-7,9-10,12-13H,3-5,8,11H2,1H3;3-4,6-7,9,11H,1-2,5,8,10H2,(H,26,27);3-4,6-8H,1-2,5H2;6H,3-5H2,1-2H3;1-3,5H,4,10H2;4H,3,5H2,1H3,(H,10,11);4H,2-3H2,1H3,(H,9,10);2-4H2,1H3;6H,4-5H2,1-3H3;;;;2*1H2/q;;;;;;;;;;;-1;2*+1;;/p-2/b;;;;;7-6+;;;;;;;;;;
InChIKeyPRGAVQLYLSBCOG-KZGDERJSSA-L
XLogP16.53
TPSA765.54 Ų
H-Bond Donors5
H-Bond Acceptors56
Rotatable Bonds50
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002980.68
LogP ≤ 516.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide?
The IUPAC name of lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide (CID 160866057) is lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide.
What is the SMILES notation for lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide?
The canonical SMILES for lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide is CCO/C=C(\C(=O)CCl)C(=O)OCC.CCOC(=O)CC(=O)CCl.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.CCOC(=O)c1cn[nH]c1CCl.CCOC(C)OCC.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1CC1=NCN=N1.[C-]#N.[C-]#[N+]Cc1[nH]ncc1C(=O)OCC.[C-]#[N+]Cc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)OCC.[Li+].[Na+].[OH-].[OH-].
What is the InChIKey of lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide?
The InChIKey is PRGAVQLYLSBCOG-KZGDERJSSA-L. The full InChI is InChI=1S/C26H23ClN10O.C20H21N7O2.C19H19N5O2.C18H17N7O2.C11H11ClN2.C9H13ClO4.C8H8ClN3.C8H9N3O2.C7H9ClN2O2.C6H9ClO3.C6H14O2.CN.Li.Na.2H2O/c27-18-5-6-35-15-30-22(23(35)7-18)9-28-26(38)20-13-37(34-21(20)8-24-29-14-31-33-24)12-19-11-36-10-17(16-1-2-16)3-4-25(36)32-19;1-2-29-20(28)16-11-27(25-17(16)7-18-21-12-22-24-18)10-15-9-26-8-14(13-3-4-13)5-6-19(26)23-15;1-3-26-19(25)16-12-24(22-17(16)8-20-2)11-15-10-23-9-14(13-4-5-13)6-7-18(23)21-15;26-18(27)14-9-25(23-15(14)5-16-19-10-20-22-16)8-13-7-24-6-12(11-1-2-11)3-4-17(24)21-13;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-3-13-6-7(8(11)5-10)9(12)14-4-2;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-3-13-8(12)6-4-10-11-7(6)5-9-2;1-2-12-7(11)5-4-9-10-6(5)3-8;1-2-10-6(9)3-5(8)4-7;1-4-7-6(3)8-5-2;1-2;;;;/h3-7,10-11,13,15-16H,1-2,8-9,12,14H2,(H,28,38);5-6,8-9,11,13H,2-4,7,10,12H2,1H3;6-7,9-10,12-13H,3-5,8,11H2,1H3;3-4,6-7,9,11H,1-2,5,8,10H2,(H,26,27);3-4,6-8H,1-2,5H2;6H,3-5H2,1-2H3;1-3,5H,4,10H2;4H,3,5H2,1H3,(H,10,11);4H,2-3H2,1H3,(H,9,10);2-4H2,1H3;6H,4-5H2,1-3H3;;;;2*1H2/q;;;;;;;;;;;-1;2*+1;;/p-2/b;;;;;7-6+;;;;;;;;;;.
What are the key properties of lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide?
lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide has a molecular weight of 2980.68 g/mol, XLogP of 16.53, 50 rotatable bonds, 5 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylic acid;1,1-diethoxyethane;ethyl (2E)-4-chloro-2-(ethoxymethylidene)-3-oxobutanoate;ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate;ethyl 4-chloro-3-oxobutanoate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(isocyanomethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxylate;ethyl 5-(isocyanomethyl)-1H-pyrazole-4-carboxylate;cyanide;dihydroxide is sourced from PubChem (CID 160866057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).