[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

C239H320N28O28SSi — CID 163419007

IUPAC[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(C(C)C)cc5)(CC3)CC4)c3cncc(-c4cnn(C(C)C)c4)n3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(S(C)(=O)=[SiH2])C5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C41H54N4O5.C40H54N6O3.C40H54N4O6SSi.C40H54N4O5.C39H52N6O4.C39H52N4O5/c1-6-29-23-44(24-29)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-5)28(4)21-32;1-27(2)30-6-10-33(11-7-30)40-17-14-39(15-18-40,16-19-40)26-45(36-22-41-21-35(43-36)32-20-42-46(25-32)28(3)4)37(47)31-8-12-34(13-9-31)49-38(48)44-23-29(5)24-44;1-26(2)36-42-33(24-49-36)29-12-19-41-35(21-29)44(25-39-13-16-40(17-14-39,18-15-39)30-8-11-34(48-4)27(3)20-30)37(45)28-6-9-31(10-7-28)50-38(46)43-22-32(23-43)51(5,47)52;1-6-7-21-42-38(46)49-32-11-8-29(9-12-32)37(45)44(35-24-30(14-22-41-35)33-25-48-36(43-33)27(2)3)26-39-15-18-40(19-16-39,20-17-39)31-10-13-34(47-5)28(4)23-31;1-26(2)45-23-30(20-42-45)33-19-35(41-25-40-33)44(36(46)29-6-9-32(10-7-29)49-37(47)43-21-27(3)22-43)24-38-12-15-39(16-13-38,17-14-38)31-8-11-34(48-5)28(4)18-31;1-6-20-41-37(45)48-31-10-7-28(8-11-31)36(44)43(34-23-29(13-21-40-34)32-24-47-35(42-32)26(2)3)25-38-14-17-39(18-15-38,19-16-38)30-9-12-33(46-5)27(4)22-30/h9,12-13,20-22,25,27,29-30,33H,6-8,10-11,14-19,23-24,26H2,1-5H3;6-7,10-11,20-22,25,27-29,31,34H,8-9,12-19,23-24,26H2,1-5H3;8,11-12,19-21,24,26,28,31-32H,6-7,9-10,13-18,22-23,25,52H2,1-5H3;10,13-14,22-25,27,29,32H,6-9,11-12,15-21,26H2,1-5H3,(H,42,46);8,11,18-20,23,25-27,29,32H,6-7,9-10,12-17,21-22,24H2,1-5H3;9,12-13,21-24,26,28,31H,6-8,10-11,14-20,25H2,1-5H3,(H,41,45)
InChIKeyAGVVSQUFEHSACZ-UHFFFAOYSA-N
MW4093.51 g/mol
LogP48.70
Rot. Bonds61

About [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (PubChem CID 163419007) has the molecular formula C239H320N28O28SSi and a molecular weight of 4093.51 g/mol. Its IUPAC name is [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
PubChem CID163419007
Molecular FormulaC239H320N28O28SSi
Molecular Weight4093.51 g/mol
Exact Mass4090.40
IUPAC Name[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(C(C)C)cc5)(CC3)CC4)c3cncc(-c4cnn(C(C)C)c4)n3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(S(C)(=O)=[SiH2])C5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C41H54N4O5.C40H54N6O3.C40H54N4O6SSi.C40H54N4O5.C39H52N6O4.C39H52N4O5/c1-6-29-23-44(24-29)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-5)28(4)21-32;1-27(2)30-6-10-33(11-7-30)40-17-14-39(15-18-40,16-19-40)26-45(36-22-41-21-35(43-36)32-20-42-46(25-32)28(3)4)37(47)31-8-12-34(13-9-31)49-38(48)44-23-29(5)24-44;1-26(2)36-42-33(24-49-36)29-12-19-41-35(21-29)44(25-39-13-16-40(17-14-39,18-15-39)30-8-11-34(48-4)27(3)20-30)37(45)28-6-9-31(10-7-28)50-38(46)43-22-32(23-43)51(5,47)52;1-6-7-21-42-38(46)49-32-11-8-29(9-12-32)37(45)44(35-24-30(14-22-41-35)33-25-48-36(43-33)27(2)3)26-39-15-18-40(19-16-39,20-17-39)31-10-13-34(47-5)28(4)23-31;1-26(2)45-23-30(20-42-45)33-19-35(41-25-40-33)44(36(46)29-6-9-32(10-7-29)49-37(47)43-21-27(3)22-43)24-38-12-15-39(16-13-38,17-14-38)31-8-11-34(48-5)28(4)18-31;1-6-20-41-37(45)48-31-10-7-28(8-11-31)36(44)43(34-23-29(13-21-40-34)32-24-47-35(42-32)26(2)3)25-38-14-17-39(18-15-38,19-16-38)30-9-12-33(46-5)27(4)22-30/h9,12-13,20-22,25,27,29-30,33H,6-8,10-11,14-19,23-24,26H2,1-5H3;6-7,10-11,20-22,25,27-29,31,34H,8-9,12-19,23-24,26H2,1-5H3;8,11-12,19-21,24,26,28,31-32H,6-7,9-10,13-18,22-23,25,52H2,1-5H3;10,13-14,22-25,27,29,32H,6-9,11-12,15-21,26H2,1-5H3,(H,42,46);8,11,18-20,23,25-27,29,32H,6-7,9-10,12-17,21-22,24H2,1-5H3;9,12-13,21-24,26,28,31H,6-8,10-11,14-20,25H2,1-5H3,(H,41,45)
InChIKeyAGVVSQUFEHSACZ-UHFFFAOYSA-N
XLogP48.70
TPSA622.78 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds61
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004093.51
LogP ≤ 548.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (CID 163419007) is [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The canonical SMILES for [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(C(C)C)cc5)(CC3)CC4)c3cncc(-c4cnn(C(C)C)c4)n3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(S(C)(=O)=[SiH2])C5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C.
What is the InChIKey of [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The InChIKey is AGVVSQUFEHSACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N4O5.C40H54N6O3.C40H54N4O6SSi.C40H54N4O5.C39H52N6O4.C39H52N4O5/c1-6-29-23-44(24-29)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-5)28(4)21-32;1-27(2)30-6-10-33(11-7-30)40-17-14-39(15-18-40,16-19-40)26-45(36-22-41-21-35(43-36)32-20-42-46(25-32)28(3)4)37(47)31-8-12-34(13-9-31)49-38(48)44-23-29(5)24-44;1-26(2)36-42-33(24-49-36)29-12-19-41-35(21-29)44(25-39-13-16-40(17-14-39,18-15-39)30-8-11-34(48-4)27(3)20-30)37(45)28-6-9-31(10-7-28)50-38(46)43-22-32(23-43)51(5,47)52;1-6-7-21-42-38(46)49-32-11-8-29(9-12-32)37(45)44(35-24-30(14-22-41-35)33-25-48-36(43-33)27(2)3)26-39-15-18-40(19-16-39,20-17-39)31-10-13-34(47-5)28(4)23-31;1-26(2)45-23-30(20-42-45)33-19-35(41-25-40-33)44(36(46)29-6-9-32(10-7-29)49-37(47)43-21-27(3)22-43)24-38-12-15-39(16-13-38,17-14-38)31-8-11-34(48-5)28(4)18-31;1-6-20-41-37(45)48-31-10-7-28(8-11-31)36(44)43(34-23-29(13-21-40-34)32-24-47-35(42-32)26(2)3)25-38-14-17-39(18-15-38,19-16-38)30-9-12-33(46-5)27(4)22-30/h9,12-13,20-22,25,27,29-30,33H,6-8,10-11,14-19,23-24,26H2,1-5H3;6-7,10-11,20-22,25,27-29,31,34H,8-9,12-19,23-24,26H2,1-5H3;8,11-12,19-21,24,26,28,31-32H,6-7,9-10,13-18,22-23,25,52H2,1-5H3;10,13-14,22-25,27,29,32H,6-9,11-12,15-21,26H2,1-5H3,(H,42,46);8,11,18-20,23,25-27,29,32H,6-7,9-10,12-17,21-22,24H2,1-5H3;9,12-13,21-24,26,28,31H,6-8,10-11,14-20,25H2,1-5H3,(H,41,45).
What are the key properties of [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate has a molecular weight of 4093.51 g/mol, XLogP of 48.70, 61 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-(methyl-oxo-silylidene-λ6-sulfanyl)azetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is sourced from PubChem (CID 163419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).