[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

C243H319F5N26O24 — CID 163580937

IUPAC[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)c(F)cn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3cnn(C(C)C)c3)c(F)cn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccc4F)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4F)(CC2)CC3)cc1C.COc1ccc(C2CCC(F)(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
InChIInChI=1S/C41H54FN5O4.2C41H53FN4O4.C41H54N4O4.C40H54FN5O4.C39H51FN4O4/c1-6-29-23-45(24-29)39(49)51-33-10-7-30(8-11-33)38(48)46(37-20-34(35(42)22-43-37)31-21-44-47(25-31)27(2)3)26-40-13-16-41(17-14-40,18-15-40)32-9-12-36(50-5)28(4)19-32;1-27(2)46-25-32(22-43-46)31-8-12-35(42)36(21-31)45(38(47)30-6-10-34(11-7-30)50-39(48)44-23-28(3)24-44)26-40-14-17-41(18-15-40,19-16-40)33-9-13-37(49-5)29(4)20-33;1-27(2)46-25-31(22-43-46)34-7-6-8-35(37(34)42)45(38(47)30-9-12-33(13-10-30)50-39(48)44-23-28(3)24-44)26-40-15-18-41(19-16-40,20-17-40)32-11-14-36(49-5)29(4)21-32;1-28(2)45-26-33(23-42-45)32-7-6-8-35(22-32)44(38(46)31-9-12-36(13-10-31)49-39(47)43-24-29(3)25-43)27-40-15-18-41(19-16-40,20-17-40)34-11-14-37(48-5)30(4)21-34;1-6-7-20-42-38(48)50-32-11-8-29(9-12-32)37(47)45(36-22-33(34(41)24-43-36)30-23-44-46(25-30)27(2)3)26-39-14-17-40(18-15-39,19-16-39)31-10-13-35(49-5)28(4)21-31;1-26(2)44-24-33(21-41-44)31-7-6-8-34(20-31)43(37(45)30-9-12-35(13-10-30)48-38(46)42-22-27(3)23-42)25-39(40)17-15-29(16-18-39)32-11-14-36(47-5)28(4)19-32/h9,12,19-22,25,27,29-30,33H,6-8,10-11,13-18,23-24,26H2,1-5H3;8-9,12-13,20-22,25,27-28,30,34H,6-7,10-11,14-19,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3;6-8,11,14,21-23,26,28-29,31,36H,9-10,12-13,15-20,24-25,27H2,1-5H3;10,13,21-25,27,29,32H,6-9,11-12,14-20,26H2,1-5H3,(H,42,48);6-8,11,14,19-21,24,26-27,29-30,35H,9-10,12-13,15-18,22-23,25H2,1-5H3
InChIKeyGHMJLPAYNIHBBA-UHFFFAOYSA-N
MW4083.37 g/mol
LogP52.27
Rot. Bonds58

About [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (PubChem CID 163580937) has the molecular formula C243H319F5N26O24 and a molecular weight of 4083.37 g/mol. Its IUPAC name is [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
PubChem CID163580937
Molecular FormulaC243H319F5N26O24
Molecular Weight4083.37 g/mol
Exact Mass4080.45
IUPAC Name[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)c(F)cn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3cnn(C(C)C)c3)c(F)cn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccc4F)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4F)(CC2)CC3)cc1C.COc1ccc(C2CCC(F)(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
InChIInChI=1S/C41H54FN5O4.2C41H53FN4O4.C41H54N4O4.C40H54FN5O4.C39H51FN4O4/c1-6-29-23-45(24-29)39(49)51-33-10-7-30(8-11-33)38(48)46(37-20-34(35(42)22-43-37)31-21-44-47(25-31)27(2)3)26-40-13-16-41(17-14-40,18-15-40)32-9-12-36(50-5)28(4)19-32;1-27(2)46-25-32(22-43-46)31-8-12-35(42)36(21-31)45(38(47)30-6-10-34(11-7-30)50-39(48)44-23-28(3)24-44)26-40-14-17-41(18-15-40,19-16-40)33-9-13-37(49-5)29(4)20-33;1-27(2)46-25-31(22-43-46)34-7-6-8-35(37(34)42)45(38(47)30-9-12-33(13-10-30)50-39(48)44-23-28(3)24-44)26-40-15-18-41(19-16-40,20-17-40)32-11-14-36(49-5)29(4)21-32;1-28(2)45-26-33(23-42-45)32-7-6-8-35(22-32)44(38(46)31-9-12-36(13-10-31)49-39(47)43-24-29(3)25-43)27-40-15-18-41(19-16-40,20-17-40)34-11-14-37(48-5)30(4)21-34;1-6-7-20-42-38(48)50-32-11-8-29(9-12-32)37(47)45(36-22-33(34(41)24-43-36)30-23-44-46(25-30)27(2)3)26-39-14-17-40(18-15-39,19-16-39)31-10-13-35(49-5)28(4)21-31;1-26(2)44-24-33(21-41-44)31-7-6-8-34(20-31)43(37(45)30-9-12-35(13-10-30)48-38(46)42-22-27(3)23-42)25-39(40)17-15-29(16-18-39)32-11-14-36(47-5)28(4)19-32/h9,12,19-22,25,27,29-30,33H,6-8,10-11,13-18,23-24,26H2,1-5H3;8-9,12-13,20-22,25,27-28,30,34H,6-7,10-11,14-19,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3;6-8,11,14,21-23,26,28-29,31,36H,9-10,12-13,15-20,24-25,27H2,1-5H3;10,13,21-25,27,29,32H,6-9,11-12,14-20,26H2,1-5H3,(H,42,48);6-8,11,14,19-21,24,26-27,29-30,35H,9-10,12-13,15-18,22-23,25H2,1-5H3
InChIKeyGHMJLPAYNIHBBA-UHFFFAOYSA-N
XLogP52.27
TPSA495.97 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds58
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004083.37
LogP ≤ 552.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The IUPAC name of [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (CID 163580937) is [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The canonical SMILES for [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)c(F)cn3)CC2)C1.CCCCNC(=O)OC1CCC(C(=O)N(CC23CCC(c4ccc(OC)c(C)c4)(CC2)CC3)c2cc(-c3cnn(C(C)C)c3)c(F)cn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccc4F)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5cnn(C(C)C)c5)c4F)(CC2)CC3)cc1C.COc1ccc(C2CCC(F)(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C.
What is the InChIKey of [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The InChIKey is GHMJLPAYNIHBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54FN5O4.2C41H53FN4O4.C41H54N4O4.C40H54FN5O4.C39H51FN4O4/c1-6-29-23-45(24-29)39(49)51-33-10-7-30(8-11-33)38(48)46(37-20-34(35(42)22-43-37)31-21-44-47(25-31)27(2)3)26-40-13-16-41(17-14-40,18-15-40)32-9-12-36(50-5)28(4)19-32;1-27(2)46-25-32(22-43-46)31-8-12-35(42)36(21-31)45(38(47)30-6-10-34(11-7-30)50-39(48)44-23-28(3)24-44)26-40-14-17-41(18-15-40,19-16-40)33-9-13-37(49-5)29(4)20-33;1-27(2)46-25-31(22-43-46)34-7-6-8-35(37(34)42)45(38(47)30-9-12-33(13-10-30)50-39(48)44-23-28(3)24-44)26-40-15-18-41(19-16-40,20-17-40)32-11-14-36(49-5)29(4)21-32;1-28(2)45-26-33(23-42-45)32-7-6-8-35(22-32)44(38(46)31-9-12-36(13-10-31)49-39(47)43-24-29(3)25-43)27-40-15-18-41(19-16-40,20-17-40)34-11-14-37(48-5)30(4)21-34;1-6-7-20-42-38(48)50-32-11-8-29(9-12-32)37(47)45(36-22-33(34(41)24-43-36)30-23-44-46(25-30)27(2)3)26-39-14-17-40(18-15-39,19-16-39)31-10-13-35(49-5)28(4)21-31;1-26(2)44-24-33(21-41-44)31-7-6-8-34(20-31)43(37(45)30-9-12-35(13-10-30)48-38(46)42-22-27(3)23-42)25-39(40)17-15-29(16-18-39)32-11-14-36(47-5)28(4)19-32/h9,12,19-22,25,27,29-30,33H,6-8,10-11,13-18,23-24,26H2,1-5H3;8-9,12-13,20-22,25,27-28,30,34H,6-7,10-11,14-19,23-24,26H2,1-5H3;6-8,11,14,21-22,25,27-28,30,33H,9-10,12-13,15-20,23-24,26H2,1-5H3;6-8,11,14,21-23,26,28-29,31,36H,9-10,12-13,15-20,24-25,27H2,1-5H3;10,13,21-25,27,29,32H,6-9,11-12,14-20,26H2,1-5H3,(H,42,48);6-8,11,14,19-21,24,26-27,29-30,35H,9-10,12-13,15-18,22-23,25H2,1-5H3.
What are the key properties of [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
[4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate has a molecular weight of 4083.37 g/mol, XLogP of 52.27, 58 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-fluoro-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[2-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-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-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is sourced from PubChem (CID 163580937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).