[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate

C243H317N33O24 — CID 163869580

IUPAC[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate
SMILESC#CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)ncn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCC5)c4)ncn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6(C)CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cncc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C
InChIInChI=1S/C42H55N5O4.C41H54N6O4.C40H52N6O4.C40H50N6O4.2C40H53N5O4/c1-29-25-45(26-29)39(49)51-35-9-6-31(7-10-35)38(48)46(37-23-32(12-21-43-37)33-24-44-47(27-33)40(3)13-5-14-40)28-41-15-18-42(19-16-41,20-17-41)34-8-11-36(50-4)30(2)22-34;1-4-29-23-45(24-29)39(49)51-34-11-8-30(9-12-34)38(48)46(37-21-35(42-27-43-37)31-22-44-47(25-31)33-6-5-7-33)26-40-14-17-41(18-15-40,19-16-40)32-10-13-36(50-3)28(2)20-32;1-27-22-44(23-27)38(48)50-33-10-7-29(8-11-33)37(47)45(36-20-34(41-26-42-36)30-21-43-46(24-30)32-5-4-6-32)25-39-13-16-40(17-14-39,18-15-39)31-9-12-35(49-3)28(2)19-31;1-6-29-22-44(23-29)38(48)50-33-10-7-30(8-11-33)37(47)45(36-20-34(41-26-42-36)31-21-43-46(24-31)27(2)3)25-39-13-16-40(17-14-39,18-15-39)32-9-12-35(49-5)28(4)19-32;1-27(2)45-25-32(21-42-45)31-19-34(22-41-20-31)44(37(46)30-6-9-35(10-7-30)49-38(47)43-23-28(3)24-43)26-39-12-15-40(16-13-39,17-14-39)33-8-11-36(48-5)29(4)18-33;1-27(2)45-25-31(22-41-45)34-7-6-8-36(42-34)44(37(46)30-9-12-33(13-10-30)49-38(47)43-23-28(3)24-43)26-39-15-18-40(19-16-39,20-17-39)32-11-14-35(48-5)29(4)21-32/h8,11-12,21-24,27,29,31,35H,5-7,9-10,13-20,25-26,28H2,1-4H3;10,13,20-22,25,27,29-30,33-34H,4-9,11-12,14-19,23-24,26H2,1-3H3;9,12,19-21,24,26-27,29,32-33H,4-8,10-11,13-18,22-23,25H2,1-3H3;1,9,12,19-21,24,26-27,29-30,33H,7-8,10-11,13-18,22-23,25H2,2-5H3;8,11,18-22,25,27-28,30,35H,6-7,9-10,12-17,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3
InChIKeyPJPPLIGOCXJSJT-UHFFFAOYSA-N
MW4084.42 g/mol
LogP47.49
Rot. Bonds55

About [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate

[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate (PubChem CID 163869580) has the molecular formula C243H317N33O24 and a molecular weight of 4084.42 g/mol. Its IUPAC name is [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate
PubChem CID163869580
Molecular FormulaC243H317N33O24
Molecular Weight4084.42 g/mol
Exact Mass4081.46
IUPAC Name[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate
SMILESC#CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)ncn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCC5)c4)ncn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6(C)CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cncc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C
InChIInChI=1S/C42H55N5O4.C41H54N6O4.C40H52N6O4.C40H50N6O4.2C40H53N5O4/c1-29-25-45(26-29)39(49)51-35-9-6-31(7-10-35)38(48)46(37-23-32(12-21-43-37)33-24-44-47(27-33)40(3)13-5-14-40)28-41-15-18-42(19-16-41,20-17-41)34-8-11-36(50-4)30(2)22-34;1-4-29-23-45(24-29)39(49)51-34-11-8-30(9-12-34)38(48)46(37-21-35(42-27-43-37)31-22-44-47(25-31)33-6-5-7-33)26-40-14-17-41(18-15-40,19-16-40)32-10-13-36(50-3)28(2)20-32;1-27-22-44(23-27)38(48)50-33-10-7-29(8-11-33)37(47)45(36-20-34(41-26-42-36)30-21-43-46(24-30)32-5-4-6-32)25-39-13-16-40(17-14-39,18-15-39)31-9-12-35(49-3)28(2)19-31;1-6-29-22-44(23-29)38(48)50-33-10-7-30(8-11-33)37(47)45(36-20-34(41-26-42-36)31-21-43-46(24-31)27(2)3)25-39-13-16-40(17-14-39,18-15-39)32-9-12-35(49-5)28(4)19-32;1-27(2)45-25-32(21-42-45)31-19-34(22-41-20-31)44(37(46)30-6-9-35(10-7-30)49-38(47)43-23-28(3)24-43)26-39-12-15-40(16-13-39,17-14-39)33-8-11-36(48-5)29(4)18-33;1-27(2)45-25-31(22-41-45)34-7-6-8-36(42-34)44(37(46)30-9-12-33(13-10-30)49-38(47)43-23-28(3)24-43)26-39-15-18-40(19-16-39,20-17-39)32-11-14-35(48-5)29(4)21-32/h8,11-12,21-24,27,29,31,35H,5-7,9-10,13-20,25-26,28H2,1-4H3;10,13,20-22,25,27,29-30,33-34H,4-9,11-12,14-19,23-24,26H2,1-3H3;9,12,19-21,24,26-27,29,32-33H,4-8,10-11,13-18,22-23,25H2,1-3H3;1,9,12,19-21,24,26-27,29-30,33H,7-8,10-11,13-18,22-23,25H2,2-5H3;8,11,18-22,25,27-28,30,35H,6-7,9-10,12-17,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3
InChIKeyPJPPLIGOCXJSJT-UHFFFAOYSA-N
XLogP47.49
TPSA577.41 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds55
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004084.42
LogP ≤ 547.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[2-(1-propan-2-ylpyrazol-4-yl)-4-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
CID 163853720
N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 163543285
[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-oxothian-4-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-hydroxyazetidine-1-carboxylate
CID 162781262
4-amino-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 156773316
[4-[[4-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate
CID 163649467
[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
CID 163752186
trans-(1S,3S)-3-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 162781279
N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]cyclohexane-1-carboxamide
CID 163803251
N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide
CID 135329956
[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 163419010
[4-[[6-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-hydroxyazetidine-1-carboxylate
CID 146457443
[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] 4-methylpiperidine-1-carboxylate
CID 163439443

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate?
The IUPAC name of [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate (CID 163869580) is [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate?
The canonical SMILES for [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate is C#CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)ncn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCC5)c4)ncn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6(C)CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cncc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C.
What is the InChIKey of [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate?
The InChIKey is PJPPLIGOCXJSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N5O4.C41H54N6O4.C40H52N6O4.C40H50N6O4.2C40H53N5O4/c1-29-25-45(26-29)39(49)51-35-9-6-31(7-10-35)38(48)46(37-23-32(12-21-43-37)33-24-44-47(27-33)40(3)13-5-14-40)28-41-15-18-42(19-16-41,20-17-41)34-8-11-36(50-4)30(2)22-34;1-4-29-23-45(24-29)39(49)51-34-11-8-30(9-12-34)38(48)46(37-21-35(42-27-43-37)31-22-44-47(25-31)33-6-5-7-33)26-40-14-17-41(18-15-40,19-16-40)32-10-13-36(50-3)28(2)20-32;1-27-22-44(23-27)38(48)50-33-10-7-29(8-11-33)37(47)45(36-20-34(41-26-42-36)30-21-43-46(24-30)32-5-4-6-32)25-39-13-16-40(17-14-39,18-15-39)31-9-12-35(49-3)28(2)19-31;1-6-29-22-44(23-29)38(48)50-33-10-7-30(8-11-33)37(47)45(36-20-34(41-26-42-36)31-21-43-46(24-31)27(2)3)25-39-13-16-40(17-14-39,18-15-39)32-9-12-35(49-5)28(4)19-32;1-27(2)45-25-32(21-42-45)31-19-34(22-41-20-31)44(37(46)30-6-9-35(10-7-30)49-38(47)43-23-28(3)24-43)26-39-12-15-40(16-13-39,17-14-39)33-8-11-36(48-5)29(4)18-33;1-27(2)45-25-31(22-41-45)34-7-6-8-36(42-34)44(37(46)30-9-12-33(13-10-30)49-38(47)43-23-28(3)24-43)26-39-15-18-40(19-16-39,20-17-39)32-11-14-35(48-5)29(4)21-32/h8,11-12,21-24,27,29,31,35H,5-7,9-10,13-20,25-26,28H2,1-4H3;10,13,20-22,25,27,29-30,33-34H,4-9,11-12,14-19,23-24,26H2,1-3H3;9,12,19-21,24,26-27,29,32-33H,4-8,10-11,13-18,22-23,25H2,1-3H3;1,9,12,19-21,24,26-27,29-30,33H,7-8,10-11,13-18,22-23,25H2,2-5H3;8,11,18-22,25,27-28,30,35H,6-7,9-10,12-17,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3.
What are the key properties of [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate?
[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate has a molecular weight of 4084.42 g/mol, XLogP of 47.49, 55 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[6-(1-cyclobutylpyrazol-4-yl)pyrimidin-4-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1-methylcyclobutyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[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-ethynylazetidine-1-carboxylate is sourced from PubChem (CID 163869580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).