tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine

C97H110BrCl2F2N29O11 — CID 157224688

IUPACtert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine
SMILESC1COCCN1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
InChIInChI=1S/C27H26ClFN8O2.C22H28N6O3.C18H20BrN5O2.C18H20N6O3.C8H7ClFN3.C4H9NO/c28-20-5-6-35-16-30-21(26(35)25(20)29)3-4-24(38)22-15-37(33-32-22)14-19-13-36-12-18(17-1-2-17)11-23(27(36)31-19)34-7-9-39-10-8-34;1-22(2,3)31-21(29)18-14-28(25-24-18)13-17-12-27-11-16(15-4-5-15)10-19(20(27)23-17)26-6-8-30-9-7-26;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-6-4-2-5-1/h5-6,11-13,15-17H,1-4,7-10,14H2;10-12,14-15H,4-9,13H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;7-9,11-12H,1-6,10H2,(H,25,26);1-2,4H,3,11H2;5H,1-4H2
InChIKeyATKGBLMCYVQFRH-UHFFFAOYSA-N
MW2046.94 g/mol
LogP12.73
Rot. Bonds23

About tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine (PubChem CID 157224688) has the molecular formula C97H110BrCl2F2N29O11 and a molecular weight of 2046.94 g/mol. Its IUPAC name is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine.

Molecular Properties

Compound Nametert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine
PubChem CID157224688
Molecular FormulaC97H110BrCl2F2N29O11
Molecular Weight2046.94 g/mol
Exact Mass2043.75
IUPAC Nametert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine
SMILESC1COCCN1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
InChIInChI=1S/C27H26ClFN8O2.C22H28N6O3.C18H20BrN5O2.C18H20N6O3.C8H7ClFN3.C4H9NO/c28-20-5-6-35-16-30-21(26(35)25(20)29)3-4-24(38)22-15-37(33-32-22)14-19-13-36-12-18(17-1-2-17)11-23(27(36)31-19)34-7-9-39-10-8-34;1-22(2,3)31-21(29)18-14-28(25-24-18)13-17-12-27-11-16(15-4-5-15)10-19(20(27)23-17)26-6-8-30-9-7-26;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-6-4-2-5-1/h5-6,11-13,15-17H,1-4,7-10,14H2;10-12,14-15H,4-9,13H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;7-9,11-12H,1-6,10H2,(H,25,26);1-2,4H,3,11H2;5H,1-4H2
InChIKeyATKGBLMCYVQFRH-UHFFFAOYSA-N
XLogP12.73
TPSA418.30 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002046.94
LogP ≤ 512.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Analyze tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine with MolForge

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Related Compounds

3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 157298740
2-(azidomethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2-(chloromethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate
CID 158096689
tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158929164
3-Bromo-5-cyclopropylpyridin-2-amine;tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl prop-2-ynoate;1-[(6-cyclopropyl-8-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1,3-dichloropropan-2-one;methyl 1-[(6-cyclopropyl-8-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;1,1,1-trifluoropropane
CID 159845775
2-(azidomethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2-(chloromethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;5-cyclopropyl-3-methylpyridin-2-amine;1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1,3-dichloropropan-2-one;ethyl 1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate
CID 160041039
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;cyclopropylboronic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;3-(trifluoromethyl)pyridin-2-amine
CID 160358806
2-bromo-1,1-diethoxyethane;tert-butyl 1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde;1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 161068044
1-[1-[[8-(Aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane
CID 161171277
tert-butyl 1-[[6-cyclopropyl-8-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-ethoxy-2-methyl-3-oxopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(3-ethoxy-2-methyl-3-oxopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethanol;ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 161863463
tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride
CID 157067871
2-(Azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;hydrochloride
CID 157068974
(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;2H-pyrrole;hydrochloride
CID 157109539

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine?
The IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine (CID 157224688) is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine.
What is the SMILES notation for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine?
The canonical SMILES for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine is C1COCCN1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.
What is the InChIKey of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine?
The InChIKey is ATKGBLMCYVQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN8O2.C22H28N6O3.C18H20BrN5O2.C18H20N6O3.C8H7ClFN3.C4H9NO/c28-20-5-6-35-16-30-21(26(35)25(20)29)3-4-24(38)22-15-37(33-32-22)14-19-13-36-12-18(17-1-2-17)11-23(27(36)31-19)34-7-9-39-10-8-34;1-22(2,3)31-21(29)18-14-28(25-24-18)13-17-12-27-11-16(15-4-5-15)10-19(20(27)23-17)26-6-8-30-9-7-26;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-6-4-2-5-1/h5-6,11-13,15-17H,1-4,7-10,14H2;10-12,14-15H,4-9,13H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;7-9,11-12H,1-6,10H2,(H,25,26);1-2,4H,3,11H2;5H,1-4H2.
What are the key properties of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine?
tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine has a molecular weight of 2046.94 g/mol, XLogP of 12.73, 23 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine is sourced from PubChem (CID 157224688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).