[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate

C250H331N27O28 — CID 163441477

IUPAC[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCCC5)c4)ccn3)CC2)C1.CCCOC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NC5CCC5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NCCC(C)(C)C)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C43H57N5O4.C42H55N5O4.C42H56N4O6.C42H58N4O5.C41H53N5O4.C40H52N4O5/c1-4-31-26-46(27-31)41(50)52-37-12-9-32(10-13-37)40(49)47(39-24-33(15-22-44-39)34-25-45-48(28-34)36-7-5-6-8-36)29-42-16-19-43(20-17-42,21-18-42)35-11-14-38(51-3)30(2)23-35;1-29-25-45(26-29)40(49)51-36-11-8-31(9-12-36)39(48)46(38-23-32(14-21-43-38)33-24-44-47(27-33)35-6-4-5-7-35)28-41-15-18-42(19-16-41,20-17-41)34-10-13-37(50-3)30(2)22-34;1-6-21-50-34-24-45(25-34)40(48)52-33-10-7-30(8-11-33)39(47)46(37-23-31(13-20-43-37)35-26-51-38(44-35)28(2)3)27-41-14-17-42(18-15-41,19-16-41)32-9-12-36(49-5)29(4)22-32;1-28(2)37-45-34(26-50-37)31-14-22-43-36(25-31)46(38(47)30-8-11-33(12-9-30)51-39(48)44-23-21-40(4,5)6)27-41-15-18-42(19-16-41,20-17-41)32-10-13-35(49-7)29(3)24-32;1-28-24-44(25-28)39(48)50-35-10-7-30(8-11-35)38(47)45(37-22-31(13-20-42-37)32-23-43-46(26-32)34-5-4-6-34)27-40-14-17-41(18-15-40,19-16-40)33-9-12-36(49-3)29(2)21-33;1-26(2)36-43-33(24-48-36)29-14-21-41-35(23-29)44(37(45)28-8-11-32(12-9-28)49-38(46)42-31-6-5-7-31)25-39-15-18-40(19-16-39,20-17-39)30-10-13-34(47-4)27(3)22-30/h11,14-15,22-25,28,31-32,36-37H,4-10,12-13,16-21,26-27,29H2,1-3H3;10,13-14,21-24,27,29,31,35-36H,4-9,11-12,15-20,25-26,28H2,1-3H3;9,12-13,20,22-23,26,28,30,33-34H,6-8,10-11,14-19,21,24-25,27H2,1-5H3;10,13-14,22,24-26,28,30,33H,8-9,11-12,15-21,23,27H2,1-7H3,(H,44,48);9,12-13,20-23,26,28,30,34-35H,4-8,10-11,14-19,24-25,27H2,1-3H3;10,13-14,21-24,26,28,31-32H,5-9,11-12,15-20,25H2,1-4H3,(H,42,46)
InChIKeyAYXIEHNMVFACHC-UHFFFAOYSA-N
MW4162.56 g/mol
LogP52.72
Rot. Bonds61

About [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate

[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate (PubChem CID 163441477) has the molecular formula C250H331N27O28 and a molecular weight of 4162.56 g/mol. Its IUPAC name is [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate
PubChem CID163441477
Molecular FormulaC250H331N27O28
Molecular Weight4162.56 g/mol
Exact Mass4159.53
IUPAC Name[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCCC5)c4)ccn3)CC2)C1.CCCOC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NC5CCC5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NCCC(C)(C)C)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C43H57N5O4.C42H55N5O4.C42H56N4O6.C42H58N4O5.C41H53N5O4.C40H52N4O5/c1-4-31-26-46(27-31)41(50)52-37-12-9-32(10-13-37)40(49)47(39-24-33(15-22-44-39)34-25-45-48(28-34)36-7-5-6-8-36)29-42-16-19-43(20-17-42,21-18-42)35-11-14-38(51-3)30(2)23-35;1-29-25-45(26-29)40(49)51-36-11-8-31(9-12-36)39(48)46(38-23-32(14-21-43-38)33-24-44-47(27-33)35-6-4-5-7-35)28-41-15-18-42(19-16-41,20-17-41)34-10-13-37(50-3)30(2)22-34;1-6-21-50-34-24-45(25-34)40(48)52-33-10-7-30(8-11-33)39(47)46(37-23-31(13-20-43-37)35-26-51-38(44-35)28(2)3)27-41-14-17-42(18-15-41,19-16-41)32-9-12-36(49-5)29(4)22-32;1-28(2)37-45-34(26-50-37)31-14-22-43-36(25-31)46(38(47)30-8-11-33(12-9-30)51-39(48)44-23-21-40(4,5)6)27-41-15-18-42(19-16-41,20-17-41)32-10-13-35(49-7)29(3)24-32;1-28-24-44(25-28)39(48)50-35-10-7-30(8-11-35)38(47)45(37-22-31(13-20-42-37)32-23-43-46(26-32)34-5-4-6-34)27-40-14-17-41(18-15-40,19-16-40)33-9-12-36(49-3)29(2)21-33;1-26(2)36-43-33(24-48-36)29-14-21-41-35(23-29)44(37(45)28-8-11-32(12-9-28)49-38(46)42-31-6-5-7-31)25-39-15-18-40(19-16-39,20-17-39)30-10-13-34(47-4)27(3)22-30/h11,14-15,22-25,28,31-32,36-37H,4-10,12-13,16-21,26-27,29H2,1-3H3;10,13-14,21-24,27,29,31,35-36H,4-9,11-12,15-20,25-26,28H2,1-3H3;9,12-13,20,22-23,26,28,30,33-34H,6-8,10-11,14-19,21,24-25,27H2,1-5H3;10,13-14,22,24-26,28,30,33H,8-9,11-12,15-21,23,27H2,1-7H3,(H,44,48);9,12-13,20-23,26,28,30,34-35H,4-8,10-11,14-19,24-25,27H2,1-3H3;10,13-14,21-24,26,28,31-32H,5-9,11-12,15-20,25H2,1-4H3,(H,42,46)
InChIKeyAYXIEHNMVFACHC-UHFFFAOYSA-N
XLogP52.72
TPSA590.18 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds61
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004162.56
LogP ≤ 552.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate?
The IUPAC name of [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate (CID 163441477) is [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate.
What is the SMILES notation for [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate?
The canonical SMILES for [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate is CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnn(C5CCCC5)c4)ccn3)CC2)C1.CCCOC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C6CCCC6)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NC5CCC5)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)NCCC(C)(C)C)CC4)c4cc(-c5coc(C(C)C)n5)ccn4)(CC2)CC3)cc1C.
What is the InChIKey of [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate?
The InChIKey is AYXIEHNMVFACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57N5O4.C42H55N5O4.C42H56N4O6.C42H58N4O5.C41H53N5O4.C40H52N4O5/c1-4-31-26-46(27-31)41(50)52-37-12-9-32(10-13-37)40(49)47(39-24-33(15-22-44-39)34-25-45-48(28-34)36-7-5-6-8-36)29-42-16-19-43(20-17-42,21-18-42)35-11-14-38(51-3)30(2)23-35;1-29-25-45(26-29)40(49)51-36-11-8-31(9-12-36)39(48)46(38-23-32(14-21-43-38)33-24-44-47(27-33)35-6-4-5-7-35)28-41-15-18-42(19-16-41,20-17-41)34-10-13-37(50-3)30(2)22-34;1-6-21-50-34-24-45(25-34)40(48)52-33-10-7-30(8-11-33)39(47)46(37-23-31(13-20-43-37)35-26-51-38(44-35)28(2)3)27-41-14-17-42(18-15-41,19-16-41)32-9-12-36(49-5)29(4)22-32;1-28(2)37-45-34(26-50-37)31-14-22-43-36(25-31)46(38(47)30-8-11-33(12-9-30)51-39(48)44-23-21-40(4,5)6)27-41-15-18-42(19-16-41,20-17-41)32-10-13-35(49-7)29(3)24-32;1-28-24-44(25-28)39(48)50-35-10-7-30(8-11-35)38(47)45(37-22-31(13-20-42-37)32-23-43-46(26-32)34-5-4-6-34)27-40-14-17-41(18-15-40,19-16-40)33-9-12-36(49-3)29(2)21-33;1-26(2)36-43-33(24-48-36)29-14-21-41-35(23-29)44(37(45)28-8-11-32(12-9-28)49-38(46)42-31-6-5-7-31)25-39-15-18-40(19-16-39,20-17-39)30-10-13-34(47-4)27(3)22-30/h11,14-15,22-25,28,31-32,36-37H,4-10,12-13,16-21,26-27,29H2,1-3H3;10,13-14,21-24,27,29,31,35-36H,4-9,11-12,15-20,25-26,28H2,1-3H3;9,12-13,20,22-23,26,28,30,33-34H,6-8,10-11,14-19,21,24-25,27H2,1-5H3;10,13-14,22,24-26,28,30,33H,8-9,11-12,15-21,23,27H2,1-7H3,(H,44,48);9,12-13,20-23,26,28,30,34-35H,4-8,10-11,14-19,24-25,27H2,1-3H3;10,13-14,21-24,26,28,31-32H,5-9,11-12,15-20,25H2,1-4H3,(H,42,46).
What are the key properties of [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate?
[4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate has a molecular weight of 4162.56 g/mol, XLogP of 52.72, 61 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(1-cyclobutylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(1-cyclopentylpyrazol-4-yl)-2-pyridinyl]-[[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-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[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-(3,3-dimethylbutyl)carbamate;[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-propoxyazetidine-1-carboxylate is sourced from PubChem (CID 163441477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).