(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine

C145H192N30O13 — CID 160793156

IUPAC(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine
SMILESCCN(CC)C[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN1CCN(C[C@H]2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)CC1.CC[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCCCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCOCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CNC2CCCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H36N6O2.2C25H33N5O2.C24H31N5O3.C24H33N5O2.C21H26N4O2/c1-4-29-10-12-30(13-11-29)17-23-18-34-28-26-22(6-5-9-32(23)26)14-21-7-8-24(25(15-21)33-3)31-16-20(2)27-19-31;1-18-15-29(17-27-18)23-10-9-19(13-24(23)31-2)12-20-6-5-11-30-22(16-32-28-25(20)30)14-26-21-7-3-4-8-21;1-19-15-29(18-26-19)23-9-8-20(14-24(23)31-2)13-21-7-6-12-30-22(17-32-27-25(21)30)16-28-10-4-3-5-11-28;1-18-14-28(17-25-18)22-6-5-19(13-23(22)30-2)12-20-4-3-7-29-21(16-32-26-24(20)29)15-27-8-10-31-11-9-27;1-5-27(6-2)15-21-16-31-26-24-20(8-7-11-29(21)24)12-19-9-10-22(23(13-19)30-4)28-14-18(3)25-17-28;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h7-8,14-16,19,23H,4-6,9-13,17-18H2,1-3H3;9-10,12-13,15,17,21-22,26H,3-8,11,14,16H2,1-2H3;8-9,13-15,18,22H,3-7,10-12,16-17H2,1-2H3;5-6,12-14,17,21H,3-4,7-11,15-16H2,1-2H3;9-10,12-14,17,21H,5-8,11,15-16H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b22-14+;20-12+;21-13+;2*20-12+;17-10+/t23-;2*22-;2*21-;18-/m000000/s1
InChIKeySCBZEWWVTXEXAA-NXJRXFOVSA-N
MW2563.33 g/mol
LogP21.02
Rot. Bonds33

About (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine

(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine (PubChem CID 160793156) has the molecular formula C145H192N30O13 and a molecular weight of 2563.33 g/mol. Its IUPAC name is (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound Name(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine
PubChem CID160793156
Molecular FormulaC145H192N30O13
Molecular Weight2563.33 g/mol
Exact Mass2561.53
IUPAC Name(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine
SMILESCCN(CC)C[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN1CCN(C[C@H]2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)CC1.CC[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCCCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCOCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CNC2CCCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H36N6O2.2C25H33N5O2.C24H31N5O3.C24H33N5O2.C21H26N4O2/c1-4-29-10-12-30(13-11-29)17-23-18-34-28-26-22(6-5-9-32(23)26)14-21-7-8-24(25(15-21)33-3)31-16-20(2)27-19-31;1-18-15-29(17-27-18)23-10-9-19(13-24(23)31-2)12-20-6-5-11-30-22(16-32-28-25(20)30)14-26-21-7-3-4-8-21;1-19-15-29(18-26-19)23-9-8-20(14-24(23)31-2)13-21-7-6-12-30-22(17-32-27-25(21)30)16-28-10-4-3-5-11-28;1-18-14-28(17-25-18)22-6-5-19(13-23(22)30-2)12-20-4-3-7-29-21(16-32-26-24(20)29)15-27-8-10-31-11-9-27;1-5-27(6-2)15-21-16-31-26-24-20(8-7-11-29(21)24)12-19-9-10-22(23(13-19)30-4)28-14-18(3)25-17-28;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h7-8,14-16,19,23H,4-6,9-13,17-18H2,1-3H3;9-10,12-13,15,17,21-22,26H,3-8,11,14,16H2,1-2H3;8-9,13-15,18,22H,3-7,10-12,16-17H2,1-2H3;5-6,12-14,17,21H,3-4,7-11,15-16H2,1-2H3;9-10,12-14,17,21H,5-8,11,15-16H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b22-14+;20-12+;21-13+;2*20-12+;17-10+/t23-;2*22-;2*21-;18-/m000000/s1
InChIKeySCBZEWWVTXEXAA-NXJRXFOVSA-N
XLogP21.02
TPSA348.74 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.33
LogP ≤ 521.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine 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

(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,2'-oxetane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,2'-oxolane];(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]
CID 158349927
(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
(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
N-[4-(difluoromethoxy)phenyl]-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 160526735
N-[4-(difluoromethoxy)phenyl]-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrazin-2-amine
CID 161420552
N-[4-(difluoromethoxy)phenyl]-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrazin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
CID 161498600
CID 161512387
CID 161512387
N'-[[(5S)-3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N'-[(3-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine;N-butyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N'-[[(5S)-3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N'-[(3-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine;N'-[[(5S)-2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N'-[(3-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 161612034
CID 162028614
CID 162028614
N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine
CID 165097964
(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine
CID 145530627
methane;(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-(3-methylphenyl)-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-[2-(pentafluoro-lambda6-sulfanyl)phenyl]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;bis([(8E)-8-[[3-methyl-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)
CID 157072824

Frequently Asked Questions

What is the IUPAC name of (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine?
The IUPAC name of (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine (CID 160793156) is (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine?
The canonical SMILES for (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine is CCN(CC)C[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN1CCN(C[C@H]2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)CC1.CC[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCCCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCOCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CNC2CCCC2)ccc1-n1cnc(C)c1.
What is the InChIKey of (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine?
The InChIKey is SCBZEWWVTXEXAA-NXJRXFOVSA-N. The full InChI is InChI=1S/C26H36N6O2.2C25H33N5O2.C24H31N5O3.C24H33N5O2.C21H26N4O2/c1-4-29-10-12-30(13-11-29)17-23-18-34-28-26-22(6-5-9-32(23)26)14-21-7-8-24(25(15-21)33-3)31-16-20(2)27-19-31;1-18-15-29(17-27-18)23-10-9-19(13-24(23)31-2)12-20-6-5-11-30-22(16-32-28-25(20)30)14-26-21-7-3-4-8-21;1-19-15-29(18-26-19)23-9-8-20(14-24(23)31-2)13-21-7-6-12-30-22(17-32-27-25(21)30)16-28-10-4-3-5-11-28;1-18-14-28(17-25-18)22-6-5-19(13-23(22)30-2)12-20-4-3-7-29-21(16-32-26-24(20)29)15-27-8-10-31-11-9-27;1-5-27(6-2)15-21-16-31-26-24-20(8-7-11-29(21)24)12-19-9-10-22(23(13-19)30-4)28-14-18(3)25-17-28;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h7-8,14-16,19,23H,4-6,9-13,17-18H2,1-3H3;9-10,12-13,15,17,21-22,26H,3-8,11,14,16H2,1-2H3;8-9,13-15,18,22H,3-7,10-12,16-17H2,1-2H3;5-6,12-14,17,21H,3-4,7-11,15-16H2,1-2H3;9-10,12-14,17,21H,5-8,11,15-16H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b22-14+;20-12+;21-13+;2*20-12+;17-10+/t23-;2*22-;2*21-;18-/m000000/s1.
What are the key properties of (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine?
(4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine has a molecular weight of 2563.33 g/mol, XLogP of 21.02, 33 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-ethyl-N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]ethanamine;(4S,9E)-4-[(4-ethylpiperazin-1-yl)methyl]-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-(morpholin-4-ylmethyl)-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-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 160793156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).