[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

C255H346N28O25S — CID 158484896

IUPAC[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CCC(C)CC4)CC3)c2)cn1.CCC(C)(CC)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)(C)C)s4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C44H61N5O4.2C43H59N5O4.C42H57N5O4.C42H56N4O4S.C41H54N4O5/c1-7-42(4,5)49-29-35(28-46-49)34-14-23-45-39(27-34)48(40(50)33-8-11-37(12-9-33)53-41(51)47-24-15-31(2)16-25-47)30-43-17-20-44(21-18-43,22-19-43)36-10-13-38(52-6)32(3)26-36;1-8-41(5,6)48-26-33(25-45-48)32-15-22-44-37(24-32)47(38(49)31-9-12-35(13-10-31)52-39(50)46-27-40(3,4)28-46)29-42-16-19-43(20-17-42,21-18-42)34-11-14-36(51-7)30(2)23-34;1-7-41(5,8-2)48-28-34(25-45-48)33-15-22-44-38(24-33)47(39(49)32-9-12-36(13-10-32)52-40(50)46-26-30(3)27-46)29-42-16-19-43(20-17-42,21-18-42)35-11-14-37(51-6)31(4)23-35;1-7-40(4,5)47-27-33(24-44-47)32-14-21-43-37(23-32)46(38(48)31-8-11-35(12-9-31)51-39(49)45-25-29(2)26-45)28-41-15-18-42(19-16-41,20-17-41)34-10-13-36(50-6)30(3)22-34;1-7-29-25-45(26-29)39(48)50-33-11-8-30(9-12-33)37(47)46(36-23-31(14-21-43-36)35-24-44-38(51-35)40(3,4)5)27-41-15-18-42(19-16-41,20-17-41)32-10-13-34(49-6)28(2)22-32;1-27-23-44(24-27)38(47)50-32-10-7-29(8-11-32)36(46)45(35-22-30(13-20-42-35)33-25-49-37(43-33)39(3,4)5)26-40-14-17-41(18-15-40,19-16-40)31-9-12-34(48-6)28(2)21-31/h10,13-14,23,26-29,31,33,37H,7-9,11-12,15-22,24-25,30H2,1-6H3;11,14-15,22-26,31,35H,8-10,12-13,16-21,27-29H2,1-7H3;11,14-15,22-25,28,30,32,36H,7-10,12-13,16-21,26-27,29H2,1-6H3;10,13-14,21-24,27,29,31,35H,7-9,11-12,15-20,25-26,28H2,1-6H3;10,13-14,21-24,29-30,33H,7-9,11-12,15-20,25-27H2,1-6H3;9,12-13,20-22,25,27,29,32H,7-8,10-11,14-19,23-24,26H2,1-6H3
InChIKeyHHYZYHDARFVIOD-UHFFFAOYSA-N
MW4235.81 g/mol
LogP54.38
Rot. Bonds58

About [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (PubChem CID 158484896) has the molecular formula C255H346N28O25S and a molecular weight of 4235.81 g/mol. Its IUPAC name is [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
PubChem CID158484896
Molecular FormulaC255H346N28O25S
Molecular Weight4235.81 g/mol
Exact Mass4232.64
IUPAC Name[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CCC(C)CC4)CC3)c2)cn1.CCC(C)(CC)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)(C)C)s4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C44H61N5O4.2C43H59N5O4.C42H57N5O4.C42H56N4O4S.C41H54N4O5/c1-7-42(4,5)49-29-35(28-46-49)34-14-23-45-39(27-34)48(40(50)33-8-11-37(12-9-33)53-41(51)47-24-15-31(2)16-25-47)30-43-17-20-44(21-18-43,22-19-43)36-10-13-38(52-6)32(3)26-36;1-8-41(5,6)48-26-33(25-45-48)32-15-22-44-37(24-32)47(38(49)31-9-12-35(13-10-31)52-39(50)46-27-40(3,4)28-46)29-42-16-19-43(20-17-42,21-18-42)34-11-14-36(51-7)30(2)23-34;1-7-41(5,8-2)48-28-34(25-45-48)33-15-22-44-38(24-33)47(39(49)32-9-12-36(13-10-32)52-40(50)46-26-30(3)27-46)29-42-16-19-43(20-17-42,21-18-42)35-11-14-37(51-6)31(4)23-35;1-7-40(4,5)47-27-33(24-44-47)32-14-21-43-37(23-32)46(38(48)31-8-11-35(12-9-31)51-39(49)45-25-29(2)26-45)28-41-15-18-42(19-16-41,20-17-41)34-10-13-36(50-6)30(3)22-34;1-7-29-25-45(26-29)39(48)50-33-11-8-30(9-12-33)37(47)46(36-23-31(14-21-43-36)35-24-44-38(51-35)40(3,4)5)27-41-15-18-42(19-16-41,20-17-41)32-10-13-34(49-6)28(2)22-32;1-27-23-44(24-27)38(47)50-32-10-7-29(8-11-32)36(46)45(35-22-30(13-20-42-35)33-25-49-37(43-33)39(3,4)5)26-40-14-17-41(18-15-40,19-16-40)31-9-12-34(48-6)28(2)21-31/h10,13-14,23,26-29,31,33,37H,7-9,11-12,15-22,24-25,30H2,1-6H3;11,14-15,22-26,31,35H,8-10,12-13,16-21,27-29H2,1-7H3;11,14-15,22-25,28,30,32,36H,7-10,12-13,16-21,26-27,29H2,1-6H3;10,13-14,21-24,27,29,31,35H,7-9,11-12,15-20,25-26,28H2,1-6H3;10,13-14,21-24,29-30,33H,7-9,11-12,15-20,25-27H2,1-6H3;9,12-13,20-22,25,27,29,32H,7-8,10-11,14-19,23-24,26H2,1-6H3
InChIKeyHHYZYHDARFVIOD-UHFFFAOYSA-N
XLogP54.38
TPSA542.02 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds58
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004235.81
LogP ≤ 554.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The IUPAC name of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (CID 158484896) is [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The canonical SMILES for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC(C)(C)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CCC(C)CC4)CC3)c2)cn1.CCC(C)(CC)n1cc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)cn1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)(C)C)s4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C.
What is the InChIKey of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The InChIKey is HHYZYHDARFVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H61N5O4.2C43H59N5O4.C42H57N5O4.C42H56N4O4S.C41H54N4O5/c1-7-42(4,5)49-29-35(28-46-49)34-14-23-45-39(27-34)48(40(50)33-8-11-37(12-9-33)53-41(51)47-24-15-31(2)16-25-47)30-43-17-20-44(21-18-43,22-19-43)36-10-13-38(52-6)32(3)26-36;1-8-41(5,6)48-26-33(25-45-48)32-15-22-44-37(24-32)47(38(49)31-9-12-35(13-10-31)52-39(50)46-27-40(3,4)28-46)29-42-16-19-43(20-17-42,21-18-42)34-11-14-36(51-7)30(2)23-34;1-7-41(5,8-2)48-28-34(25-45-48)33-15-22-44-38(24-33)47(39(49)32-9-12-36(13-10-32)52-40(50)46-26-30(3)27-46)29-42-16-19-43(20-17-42,21-18-42)35-11-14-37(51-6)31(4)23-35;1-7-40(4,5)47-27-33(24-44-47)32-14-21-43-37(23-32)46(38(48)31-8-11-35(12-9-31)51-39(49)45-25-29(2)26-45)28-41-15-18-42(19-16-41,20-17-41)34-10-13-36(50-6)30(3)22-34;1-7-29-25-45(26-29)39(48)50-33-11-8-30(9-12-33)37(47)46(36-23-31(14-21-43-36)35-24-44-38(51-35)40(3,4)5)27-41-15-18-42(19-16-41,20-17-41)32-10-13-34(49-6)28(2)22-32;1-27-23-44(24-27)38(47)50-32-10-7-29(8-11-32)36(46)45(35-22-30(13-20-42-35)33-25-49-37(43-33)39(3,4)5)26-40-14-17-41(18-15-40,19-16-40)31-9-12-34(48-6)28(2)21-31/h10,13-14,23,26-29,31,33,37H,7-9,11-12,15-22,24-25,30H2,1-6H3;11,14-15,22-26,31,35H,8-10,12-13,16-21,27-29H2,1-7H3;11,14-15,22-25,28,30,32,36H,7-10,12-13,16-21,26-27,29H2,1-6H3;10,13-14,21-24,27,29,31,35H,7-9,11-12,15-20,25-26,28H2,1-6H3;10,13-14,21-24,29-30,33H,7-9,11-12,15-20,25-27H2,1-6H3;9,12-13,20-22,25,27,29,32H,7-8,10-11,14-19,23-24,26H2,1-6H3.
What are the key properties of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate has a molecular weight of 4235.81 g/mol, XLogP of 54.38, 58 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is sourced from PubChem (CID 158484896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).