About tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride
tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride (PubChem CID 159758286) has the molecular formula C121H143BBrCl6F2N40O21+
and a molecular weight of 2835.16 g/mol. Its IUPAC name is tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride?
The IUPAC name of tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride (CID 159758286) is tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride.
What is the SMILES notation for tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride?
The canonical SMILES for tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride is CC(C)(C)OC(=O)c1cn(Cc2cn3nc(Cl)cc(Br)c3n2)nn1.COC(=O)C1CCN(c2cc(C3CC3)nn3cc(Cn4cc(C(=O)CCc5[nH]c[n+]6ccc(Cl)c(F)c56)nn4)nc23)C1.COC(=O)C1CCN(c2cc(C3CC3)nn3cc(Cn4cc(C(=O)O)nn4)nc23)C1.COC(=O)C1CCN(c2cc(C3CC3)nn3cc(Cn4cc(C(=O)OC(C)(C)C)nn4)nc23)C1.COC(=O)C1CCN(c2cc(Cl)nn3cc(Cn4cc(C(=O)OC(C)(C)C)nn4)nc23)C1.COC(=O)C1CCNC1.Cl.Cl.NCc1ncn2ccc(Cl)c(F)c12.OB(O)C1CC1.
What is the InChIKey of tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride?
The InChIKey is UYSDCORKGQFHEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H27ClFN9O3.C23H29N7O4.C20H24ClN7O4.C19H21N7O4.C14H14BrClN6O2.C8H7ClFN3.C6H11NO2.C3H7BO2.2ClH/c1-42-28(41)17-6-8-36(11-17)23-10-21(16-2-3-16)34-39-13-18(32-27(23)39)12-38-14-22(33-35-38)24(40)5-4-20-26-25(30)19(29)7-9-37(26)15-31-20;1-23(2,3)34-22(32)18-13-29(27-25-18)11-16-12-30-20(24-16)19(9-17(26-30)14-5-6-14)28-8-7-15(10-28)21(31)33-4;1-20(2,3)32-19(30)14-11-27(25-23-14)9-13-10-28-17(22-13)15(7-16(21)24-28)26-6-5-12(8-26)18(29)31-4;1-30-19(29)12-4-5-24(7-12)16-6-14(11-2-3-11)22-26-9-13(20-17(16)26)8-25-10-15(18(27)28)21-23-25;1-14(2,3)24-13(23)10-7-21(20-18-10)5-8-6-22-12(17-8)9(15)4-11(16)19-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-9-6(8)5-2-3-7-4-5;5-4(6)3-1-2-3;;/h7,9-10,13-17H,2-6,8,11-12H2,1H3;9,12-15H,5-8,10-11H2,1-4H3;7,10-12H,5-6,8-9H2,1-4H3;6,9-12H,2-5,7-8H2,1H3,(H,27,28);4,6-7H,5H2,1-3H3;1-2,4H,3,11H2;5,7H,2-4H2,1H3;3,5-6H,1-2H2;2*1H/p+1.
What are the key properties of tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride?
tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride has a molecular weight of 2835.16 g/mol, XLogP of 12.60, 32 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[(8-bromo-6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-chloro-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(3-methoxycarbonylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxylic acid;methyl 1-[2-[[4-[3-(7-chloro-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 159758286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).