[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate

C233H306F2N26O25S — CID 163752183

IUPAC[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate
SMILESCCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C6CC6)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-n4cnc(C5CC5)n4)c3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(C)C)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)nc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
InChIInChI=1S/C40H50N4O5.C40H50N4O4S.C39H55N5O4.C38H50F2N4O4.C38H49N5O4.C38H52N4O4/c1-26-22-43(23-26)38(46)49-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)33-24-48-36(42-33)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-3)27(2)20-31;1-26-23-43(24-26)38(46)48-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)34-22-42-36(49-34)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-33(47-3)27(2)20-31;1-26(2)44-24-32(22-41-44)31-9-8-10-33(21-31)43(23-28-11-13-29(14-12-28)35-19-20-36(47-7)27(3)42-35)37(45)30-15-17-34(18-16-30)48-38(46)40-25-39(4,5)6;1-25(2)44-23-32(21-42-44)30-7-6-8-33(20-30)43(22-27-9-11-28(12-10-27)31-15-18-35(47-5)26(3)19-31)36(45)29-13-16-34(17-14-29)48-37(46)41-24-38(4,39)40;1-25-21-41(22-25)38(45)47-34-16-13-30(14-17-34)37(44)42(32-5-4-6-33(20-32)43-24-39-36(40-43)29-11-12-29)23-27-7-9-28(10-8-27)31-15-18-35(46-3)26(2)19-31;1-6-20-39-38(44)46-35-17-14-30(15-18-35)37(43)41(34-9-7-8-31(22-34)33-23-40-42(25-33)26(2)3)24-28-10-12-29(13-11-28)32-16-19-36(45-5)27(4)21-32/h8,11-12,19-21,24,26,28-29,32H,4-7,9-10,13-18,22-23,25H2,1-3H3;8,11-12,19-22,26,28-29,32H,4-7,9-10,13-18,23-25H2,1-3H3;8-10,19-22,24,26,28-30,34H,11-18,23,25H2,1-7H3,(H,40,46);6-8,15,18-21,23,25,27-29,34H,9-14,16-17,22,24H2,1-5H3,(H,41,46);4-6,15,18-20,24-25,27-30,34H,7-14,16-17,21-23H2,1-3H3;7-9,16,19,21-23,25-26,28-30,35H,6,10-15,17-18,20,24H2,1-5H3,(H,39,44)
InChIKeyLQYFXIIGRKMJTF-UHFFFAOYSA-N
MW3941.23 g/mol
LogP49.92
Rot. Bonds59

About [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate

[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate (PubChem CID 163752183) has the molecular formula C233H306F2N26O25S and a molecular weight of 3941.23 g/mol. Its IUPAC name is [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate
PubChem CID163752183
Molecular FormulaC233H306F2N26O25S
Molecular Weight3941.23 g/mol
Exact Mass3938.32
IUPAC Name[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate
SMILESCCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C6CC6)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-n4cnc(C5CC5)n4)c3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(C)C)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)nc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
InChIInChI=1S/C40H50N4O5.C40H50N4O4S.C39H55N5O4.C38H50F2N4O4.C38H49N5O4.C38H52N4O4/c1-26-22-43(23-26)38(46)49-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)33-24-48-36(42-33)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-3)27(2)20-31;1-26-23-43(24-26)38(46)48-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)34-22-42-36(49-34)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-33(47-3)27(2)20-31;1-26(2)44-24-32(22-41-44)31-9-8-10-33(21-31)43(23-28-11-13-29(14-12-28)35-19-20-36(47-7)27(3)42-35)37(45)30-15-17-34(18-16-30)48-38(46)40-25-39(4,5)6;1-25(2)44-23-32(21-42-44)30-7-6-8-33(20-30)43(22-27-9-11-28(12-10-27)31-15-18-35(47-5)26(3)19-31)36(45)29-13-16-34(17-14-29)48-37(46)41-24-38(4,39)40;1-25-21-41(22-25)38(45)47-34-16-13-30(14-17-34)37(44)42(32-5-4-6-33(20-32)43-24-39-36(40-43)29-11-12-29)23-27-7-9-28(10-8-27)31-15-18-35(46-3)26(2)19-31;1-6-20-39-38(44)46-35-17-14-30(15-18-35)37(43)41(34-9-7-8-31(22-34)33-23-40-42(25-33)26(2)3)24-28-10-12-29(13-11-28)32-16-19-36(45-5)27(4)21-32/h8,11-12,19-21,24,26,28-29,32H,4-7,9-10,13-18,22-23,25H2,1-3H3;8,11-12,19-22,26,28-29,32H,4-7,9-10,13-18,23-25H2,1-3H3;8-10,19-22,24,26,28-30,34H,11-18,23,25H2,1-7H3,(H,40,46);6-8,15,18-21,23,25,27-29,34H,9-14,16-17,22,24H2,1-5H3,(H,41,46);4-6,15,18-20,24-25,27-30,34H,7-14,16-17,21-23H2,1-3H3;7-9,16,19,21-23,25-26,28-30,35H,6,10-15,17-18,20,24H2,1-5H3,(H,39,44)
InChIKeyLQYFXIIGRKMJTF-UHFFFAOYSA-N
XLogP49.92
TPSA542.61 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003941.23
LogP ≤ 549.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate (CID 163752183) is [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate is CCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5coc(C6CC6)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cccc(-n4cnc(C5CC5)n4)c3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(C)C)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)nc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C.
What is the InChIKey of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate?
The InChIKey is LQYFXIIGRKMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N4O5.C40H50N4O4S.C39H55N5O4.C38H50F2N4O4.C38H49N5O4.C38H52N4O4/c1-26-22-43(23-26)38(46)49-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)33-24-48-36(42-33)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-3)27(2)20-31;1-26-23-43(24-26)38(46)48-32-9-6-29(7-10-32)37(45)44(35-21-30(12-19-41-35)34-22-42-36(49-34)28-4-5-28)25-39-13-16-40(17-14-39,18-15-39)31-8-11-33(47-3)27(2)20-31;1-26(2)44-24-32(22-41-44)31-9-8-10-33(21-31)43(23-28-11-13-29(14-12-28)35-19-20-36(47-7)27(3)42-35)37(45)30-15-17-34(18-16-30)48-38(46)40-25-39(4,5)6;1-25(2)44-23-32(21-42-44)30-7-6-8-33(20-30)43(22-27-9-11-28(12-10-27)31-15-18-35(47-5)26(3)19-31)36(45)29-13-16-34(17-14-29)48-37(46)41-24-38(4,39)40;1-25-21-41(22-25)38(45)47-34-16-13-30(14-17-34)37(44)42(32-5-4-6-33(20-32)43-24-39-36(40-43)29-11-12-29)23-27-7-9-28(10-8-27)31-15-18-35(46-3)26(2)19-31;1-6-20-39-38(44)46-35-17-14-30(15-18-35)37(43)41(34-9-7-8-31(22-34)33-23-40-42(25-33)26(2)3)24-28-10-12-29(13-11-28)32-16-19-36(45-5)27(4)21-32/h8,11-12,19-21,24,26,28-29,32H,4-7,9-10,13-18,22-23,25H2,1-3H3;8,11-12,19-22,26,28-29,32H,4-7,9-10,13-18,23-25H2,1-3H3;8-10,19-22,24,26,28-30,34H,11-18,23,25H2,1-7H3,(H,40,46);6-8,15,18-21,23,25,27-29,34H,9-14,16-17,22,24H2,1-5H3,(H,41,46);4-6,15,18-20,24-25,27-30,34H,7-14,16-17,21-23H2,1-3H3;7-9,16,19,21-23,25-26,28-30,35H,6,10-15,17-18,20,24H2,1-5H3,(H,39,44).
What are the key properties of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate?
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate has a molecular weight of 3941.23 g/mol, XLogP of 49.92, 59 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-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;[4-[[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-propylcarbamate;[4-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 163752183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).