(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole

C157H166F4N24O14 — CID 159047648

IUPAC(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(C)c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(OC(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\C[C@@H](C)CN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1ccc(C2(C)ON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)cc1
InChIInChI=1S/C27H28F2N4O3.C27H30N4O2.C26H26F2N4O2.C26H28N4O3.C26H28N4O2.C25H26N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-36-26(33,2)21-8-10-22(11-9-21)35-27(3,28)29;1-18-6-9-23(10-7-18)27(4)31-15-19(2)12-22(26(31)29-33-27)13-21-8-11-24(25(14-21)32-5)30-16-20(3)28-17-30;1-16-14-31(15-29-16)23-8-7-18(11-24(23)33-4)10-19-6-5-9-32-25(19)30-34-26(32,3)20-12-21(27)17(2)22(28)13-20;1-18-16-29(17-27-18)23-12-7-19(15-24(23)32-4)14-20-6-5-13-30-25(20)28-33-26(30,2)21-8-10-22(31-3)11-9-21;1-18-7-10-22(11-8-18)26(3)30-13-5-6-21(25(30)28-32-26)14-20-9-12-23(24(15-20)31-4)29-16-19(2)27-17-29;1-17-5-8-21(9-6-17)25(3)29-12-11-20(24(29)27-31-25)13-19-7-10-22(23(14-19)30-4)28-15-18(2)26-16-28/h7-12,14-17H,5-6,13H2,1-4H3;6-11,13-14,16-17,19H,12,15H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;5-10,13-16H,11-12H2,1-4H3/b20-14+;22-13+;19-10+;20-14+;21-14+;20-13+/t;19-,27?;;;;/m.1..../s1
InChIKeyJWVXETOUAAJVLE-HTZUQIQXSA-N
MW2689.20 g/mol
LogP31.68
Rot. Bonds27

About (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole

(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole (PubChem CID 159047648) has the molecular formula C157H166F4N24O14 and a molecular weight of 2689.20 g/mol. Its IUPAC name is (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole.

Molecular Properties

Compound Name(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole
PubChem CID159047648
Molecular FormulaC157H166F4N24O14
Molecular Weight2689.20 g/mol
Exact Mass2687.30
IUPAC Name(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(C)c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(OC(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\C[C@@H](C)CN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1ccc(C2(C)ON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)cc1
InChIInChI=1S/C27H28F2N4O3.C27H30N4O2.C26H26F2N4O2.C26H28N4O3.C26H28N4O2.C25H26N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-36-26(33,2)21-8-10-22(11-9-21)35-27(3,28)29;1-18-6-9-23(10-7-18)27(4)31-15-19(2)12-22(26(31)29-33-27)13-21-8-11-24(25(14-21)32-5)30-16-20(3)28-17-30;1-16-14-31(15-29-16)23-8-7-18(11-24(23)33-4)10-19-6-5-9-32-25(19)30-34-26(32,3)20-12-21(27)17(2)22(28)13-20;1-18-16-29(17-27-18)23-12-7-19(15-24(23)32-4)14-20-6-5-13-30-25(20)28-33-26(30,2)21-8-10-22(31-3)11-9-21;1-18-7-10-22(11-8-18)26(3)30-13-5-6-21(25(30)28-32-26)14-20-9-12-23(24(15-20)31-4)29-16-19(2)27-17-29;1-17-5-8-21(9-6-17)25(3)29-12-11-20(24(29)27-31-25)13-19-7-10-22(23(14-19)30-4)28-15-18(2)26-16-28/h7-12,14-17H,5-6,13H2,1-4H3;6-11,13-14,16-17,19H,12,15H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;5-10,13-16H,11-12H2,1-4H3/b20-14+;22-13+;19-10+;20-14+;21-14+;20-13+/t;19-,27?;;;;/m.1..../s1
InChIKeyJWVXETOUAAJVLE-HTZUQIQXSA-N
XLogP31.68
TPSA329.74 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002689.20
LogP ≤ 531.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
(8E)-3-[4-(1,1-difluoroethyl)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;[(8E)-3-(2-fluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;methyl (8E)-3-(2-fluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate
CID 157310396
(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 157366623
1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157567699
1-(1,1-difluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[1,2-c]pyrimidine;3-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrrolo[1,2-c]pyrimidine;3-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrrolo[1,2-c]pyrimidine;3-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrrolo[1,2-c]pyrimidine
CID 157674024
6-[4-(1,1-Difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 158012734
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 158171983
7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methylpyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 158335812
(4S,9E)-4-[(2S)-butan-2-yl]-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;bis((9E)-4-(1,1-difluoroethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepiperidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepyrrolidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-methylpropyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 158738745
1-[(2S)-2-[8-amino-1-[4-[(4-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 158757291
(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;ethyl (8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate;bis((8E)-3-(4-fluoro-3-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine);(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(trifluoromethyl)-6,7-dihydro-5H-[1,3]oxazolo[3,4-a]pyridine
CID 158994989
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 159337894

Frequently Asked Questions

What is the IUPAC name of (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole?
The IUPAC name of (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole (CID 159047648) is (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole.
What is the SMILES notation for (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole?
The canonical SMILES for (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole is COc1cc(/C=C2\CCCN3C2=NOC3(C)c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(OC(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\C[C@@H](C)CN3C2=NOC3(C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1ccc(C2(C)ON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)cc1.
What is the InChIKey of (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole?
The InChIKey is JWVXETOUAAJVLE-HTZUQIQXSA-N. The full InChI is InChI=1S/C27H28F2N4O3.C27H30N4O2.C26H26F2N4O2.C26H28N4O3.C26H28N4O2.C25H26N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-36-26(33,2)21-8-10-22(11-9-21)35-27(3,28)29;1-18-6-9-23(10-7-18)27(4)31-15-19(2)12-22(26(31)29-33-27)13-21-8-11-24(25(14-21)32-5)30-16-20(3)28-17-30;1-16-14-31(15-29-16)23-8-7-18(11-24(23)33-4)10-19-6-5-9-32-25(19)30-34-26(32,3)20-12-21(27)17(2)22(28)13-20;1-18-16-29(17-27-18)23-12-7-19(15-24(23)32-4)14-20-6-5-13-30-25(20)28-33-26(30,2)21-8-10-22(31-3)11-9-21;1-18-7-10-22(11-8-18)26(3)30-13-5-6-21(25(30)28-32-26)14-20-9-12-23(24(15-20)31-4)29-16-19(2)27-17-29;1-17-5-8-21(9-6-17)25(3)29-12-11-20(24(29)27-31-25)13-19-7-10-22(23(14-19)30-4)28-15-18(2)26-16-28/h7-12,14-17H,5-6,13H2,1-4H3;6-11,13-14,16-17,19H,12,15H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;7-12,14-17H,5-6,13H2,1-4H3;5-10,13-16H,11-12H2,1-4H3/b20-14+;22-13+;19-10+;20-14+;21-14+;20-13+/t;19-,27?;;;;/m.1..../s1.
What are the key properties of (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole?
(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole has a molecular weight of 2689.20 g/mol, XLogP of 31.68, 27 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole is sourced from PubChem (CID 159047648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).