4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

C182H197F3N30O3 — CID 159258515

IUPAC4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.CN[C@@H](C)c1nc2c([nH]1)CCOc1cc(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc1-2.FC(F)(F)CCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3C[C@@H]4C[C@@H]4C3)[nH]2)ccc1-c1ccc2c(c1)CCCc1[nH]c([C@@H]3C[C@H]4C[C@H]4N3)nc1-2
InChIInChI=1S/C33H36F3N5.C32H33N5.C32H37N5.C29H31N5O.C28H29N5O.C28H31N5O/c34-33(35,36)17-16-27-29(40-31(38-27)22-5-1-2-6-22)21-12-10-20(11-13-21)23-14-15-25-24(19-23)7-3-8-26-30(25)41-32(39-26)28-9-4-18-37-28;1-2-20-10-19(8-9-25(20)30-26(3-1)35-32(37-30)28-15-23-14-27(23)34-28)17-4-6-18(7-5-17)29-16-33-31(36-29)24-12-21-11-22(21)13-24;1-2-26-29(36-31(34-26)22-7-3-4-8-22)21-14-12-20(13-15-21)23-16-17-25-24(19-23)9-5-10-27-30(25)37-32(35-27)28-11-6-18-33-28;1-2-5-20(4-1)28-31-17-25(33-28)19-9-7-18(8-10-19)21-11-12-22-26(16-21)35-15-13-23-27(22)34-29(32-23)24-6-3-14-30-24;1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22;1-17(29-2)27-31-23-13-14-34-25-15-21(11-12-22(25)26(23)33-27)18-7-9-19(10-8-18)24-16-30-28(32-24)20-5-3-4-6-20/h10-15,19,22,28,37H,1-9,16-18H2,(H,38,40)(H,39,41);4-10,16,21-24,27-28,34H,1-3,11-15H2,(H,33,36)(H,35,37);12-17,19,22,28,33H,2-11,18H2,1H3,(H,34,36)(H,35,37);7-12,16-17,20,24,30H,1-6,13-15H2,(H,31,33)(H,32,34);7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33);7-12,15-17,20,29H,3-6,13-14H2,1-2H3,(H,30,32)(H,31,33)/t28-;21-,22+,23-,24?,27-,28+;28-;24-;22-;17-/m010000/s1
InChIKeyKWFCAOLXEAWQQX-DSYJQYTRSA-N
MW2909.78 g/mol
LogP40.29
Rot. Bonds28

About 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (PubChem CID 159258515) has the molecular formula C182H197F3N30O3 and a molecular weight of 2909.78 g/mol. Its IUPAC name is 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
PubChem CID159258515
Molecular FormulaC182H197F3N30O3
Molecular Weight2909.78 g/mol
Exact Mass2907.61
IUPAC Name4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.CN[C@@H](C)c1nc2c([nH]1)CCOc1cc(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc1-2.FC(F)(F)CCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3C[C@@H]4C[C@@H]4C3)[nH]2)ccc1-c1ccc2c(c1)CCCc1[nH]c([C@@H]3C[C@H]4C[C@H]4N3)nc1-2
InChIInChI=1S/C33H36F3N5.C32H33N5.C32H37N5.C29H31N5O.C28H29N5O.C28H31N5O/c34-33(35,36)17-16-27-29(40-31(38-27)22-5-1-2-6-22)21-12-10-20(11-13-21)23-14-15-25-24(19-23)7-3-8-26-30(25)41-32(39-26)28-9-4-18-37-28;1-2-20-10-19(8-9-25(20)30-26(3-1)35-32(37-30)28-15-23-14-27(23)34-28)17-4-6-18(7-5-17)29-16-33-31(36-29)24-12-21-11-22(21)13-24;1-2-26-29(36-31(34-26)22-7-3-4-8-22)21-14-12-20(13-15-21)23-16-17-25-24(19-23)9-5-10-27-30(25)37-32(35-27)28-11-6-18-33-28;1-2-5-20(4-1)28-31-17-25(33-28)19-9-7-18(8-10-19)21-11-12-22-26(16-21)35-15-13-23-27(22)34-29(32-23)24-6-3-14-30-24;1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22;1-17(29-2)27-31-23-13-14-34-25-15-21(11-12-22(25)26(23)33-27)18-7-9-19(10-8-18)24-16-30-28(32-24)20-5-3-4-6-20/h10-15,19,22,28,37H,1-9,16-18H2,(H,38,40)(H,39,41);4-10,16,21-24,27-28,34H,1-3,11-15H2,(H,33,36)(H,35,37);12-17,19,22,28,33H,2-11,18H2,1H3,(H,34,36)(H,35,37);7-12,16-17,20,24,30H,1-6,13-15H2,(H,31,33)(H,32,34);7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33);7-12,15-17,20,29H,3-6,13-14H2,1-2H3,(H,30,32)(H,31,33)/t28-;21-,22+,23-,24?,27-,28+;28-;24-;22-;17-/m010000/s1
InChIKeyKWFCAOLXEAWQQX-DSYJQYTRSA-N
XLogP40.29
TPSA444.03 Ų
H-Bond Donors18
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002909.78
LogP ≤ 540.29
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1021

Analyze 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene with MolForge

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Related Compounds

tert-butyl (2S)-2-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[12-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(2,2,2-trifluoroethyl)-1H-imidazol-4-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[12-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidine-1-carboxylate
CID 158125834
1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
CID 158317941
(2R)-2-(diethylamino)-1-[(1R,3S,5R)-3-[12-[4-[2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-phenylethanone;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159131685
CID 159830632
CID 159830632
tert-butyl (2S)-2-[5-[4-[2-[(1S)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[12-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[12-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159837224
1-cyclopropyl-2-ethylimidazole;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;3-ethynyl-2-propan-2-ylpyridine;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];bis((9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane]);(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
CID 159919218
CID 160719718
CID 160719718
2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine
CID 157377510
2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-7-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-dihydrochromeno[3,4-d]imidazole
CID 157884043
2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole
CID 158948381
tert-butyl (2S)-2-[5-[4-[4-[(1S)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[12-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[8-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 159153567
CID 160756119
CID 160756119

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The IUPAC name of 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (CID 159258515) is 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.
What is the SMILES notation for 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The canonical SMILES for 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is CCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.CN[C@@H](C)c1nc2c([nH]1)CCOc1cc(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc1-2.FC(F)(F)CCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc3c(c2)CCCc2[nH]c([C@@H]4CCCN4)nc2-3)cc1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc(C3C[C@@H]4C[C@@H]4C3)[nH]2)ccc1-c1ccc2c(c1)CCCc1[nH]c([C@@H]3C[C@H]4C[C@H]4N3)nc1-2.
What is the InChIKey of 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The InChIKey is KWFCAOLXEAWQQX-DSYJQYTRSA-N. The full InChI is InChI=1S/C33H36F3N5.C32H33N5.C32H37N5.C29H31N5O.C28H29N5O.C28H31N5O/c34-33(35,36)17-16-27-29(40-31(38-27)22-5-1-2-6-22)21-12-10-20(11-13-21)23-14-15-25-24(19-23)7-3-8-26-30(25)41-32(39-26)28-9-4-18-37-28;1-2-20-10-19(8-9-25(20)30-26(3-1)35-32(37-30)28-15-23-14-27(23)34-28)17-4-6-18(7-5-17)29-16-33-31(36-29)24-12-21-11-22(21)13-24;1-2-26-29(36-31(34-26)22-7-3-4-8-22)21-14-12-20(13-15-21)23-16-17-25-24(19-23)9-5-10-27-30(25)37-32(35-27)28-11-6-18-33-28;1-2-5-20(4-1)28-31-17-25(33-28)19-9-7-18(8-10-19)21-11-12-22-26(16-21)35-15-13-23-27(22)34-29(32-23)24-6-3-14-30-24;1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22;1-17(29-2)27-31-23-13-14-34-25-15-21(11-12-22(25)26(23)33-27)18-7-9-19(10-8-18)24-16-30-28(32-24)20-5-3-4-6-20/h10-15,19,22,28,37H,1-9,16-18H2,(H,38,40)(H,39,41);4-10,16,21-24,27-28,34H,1-3,11-15H2,(H,33,36)(H,35,37);12-17,19,22,28,33H,2-11,18H2,1H3,(H,34,36)(H,35,37);7-12,16-17,20,24,30H,1-6,13-15H2,(H,31,33)(H,32,34);7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33);7-12,15-17,20,29H,3-6,13-14H2,1-2H3,(H,30,32)(H,31,33)/t28-;21-,22+,23-,24?,27-,28+;28-;24-;22-;17-/m010000/s1.
What are the key properties of 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene has a molecular weight of 2909.78 g/mol, XLogP of 40.29, 28 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-12-[4-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;12-[4-(2-cyclopentyl-5-ethyl-1H-imidazol-4-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;(1S)-1-[8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]-N-methylethanamine;8-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole;12-[4-[2-cyclopentyl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is sourced from PubChem (CID 159258515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).