[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

C229H298F6N30O25 — CID 163927648

IUPAC[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(F)(F)F)c3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C(C)C)on4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4ccc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnn(C(F)(F)F)c4)ccn3)CC2)cc1C
InChIInChI=1S/C40H53N5O4.C39H51N5O4.C38H50F3N5O4.C38H50N6O4.C38H50N4O5.C36H44F3N5O4/c1-27(2)45-25-32(22-42-45)31-12-19-41-36(21-31)44(37(46)30-6-9-34(10-7-30)49-38(47)43-23-28(3)24-43)26-39-13-16-40(17-14-39,18-15-39)33-8-11-35(48-5)29(4)20-33;1-26-23-43(24-26)39(46)48-34-14-10-30(11-15-34)38(45)44(37-21-32(18-19-40-37)33-13-17-36(41-22-33)42(3)4)25-28-6-8-29(9-7-28)31-12-16-35(47-5)27(2)20-31;1-6-37(3,4)24-43-36(48)50-32-14-11-28(12-15-32)35(47)45(34-20-30(17-18-42-34)31-21-44-46(23-31)38(39,40)41)22-26-7-9-27(10-8-26)29-13-16-33(49-5)25(2)19-29;1-25-22-43(23-25)38(46)48-33-13-10-29(11-14-33)36(45)44(35-19-31(16-17-39-35)32-20-40-37(41-21-32)42(3)4)24-27-6-8-28(9-7-27)30-12-15-34(47-5)26(2)18-30;1-24(2)35-20-33(40-47-35)31-16-17-39-36(19-31)42(23-27-6-8-28(9-7-27)30-12-15-34(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-23-19-42(20-23)35(46)48-31-11-8-27(9-12-31)34(45)43(33-17-29(14-15-40-33)30-18-41-44(22-30)36(37,38)39)21-25-4-6-26(7-5-25)28-10-13-32(47-3)24(2)16-28/h8,11-12,19-22,25,27-28,30,34H,6-7,9-10,13-18,23-24,26H2,1-5H3;12-13,16-22,26,28-30,34H,6-11,14-15,23-25H2,1-5H3;13,16-21,23,26-28,32H,6-12,14-15,22,24H2,1-5H3,(H,43,48);12,15-21,25,27-29,33H,6-11,13-14,22-24H2,1-5H3;12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;10,13-18,22-23,25-27,31H,4-9,11-12,19-21H2,1-3H3
InChIKeyRFXCVYLQNNDBSH-UHFFFAOYSA-N
MW3985.08 g/mol
LogP47.06
Rot. Bonds55

About [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (PubChem CID 163927648) has the molecular formula C229H298F6N30O25 and a molecular weight of 3985.08 g/mol. Its IUPAC name is [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
PubChem CID163927648
Molecular FormulaC229H298F6N30O25
Molecular Weight3985.08 g/mol
Exact Mass3982.29
IUPAC Name[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
SMILESCCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(F)(F)F)c3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C(C)C)on4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4ccc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnn(C(F)(F)F)c4)ccn3)CC2)cc1C
InChIInChI=1S/C40H53N5O4.C39H51N5O4.C38H50F3N5O4.C38H50N6O4.C38H50N4O5.C36H44F3N5O4/c1-27(2)45-25-32(22-42-45)31-12-19-41-36(21-31)44(37(46)30-6-9-34(10-7-30)49-38(47)43-23-28(3)24-43)26-39-13-16-40(17-14-39,18-15-39)33-8-11-35(48-5)29(4)20-33;1-26-23-43(24-26)39(46)48-34-14-10-30(11-15-34)38(45)44(37-21-32(18-19-40-37)33-13-17-36(41-22-33)42(3)4)25-28-6-8-29(9-7-28)31-12-16-35(47-5)27(2)20-31;1-6-37(3,4)24-43-36(48)50-32-14-11-28(12-15-32)35(47)45(34-20-30(17-18-42-34)31-21-44-46(23-31)38(39,40)41)22-26-7-9-27(10-8-26)29-13-16-33(49-5)25(2)19-29;1-25-22-43(23-25)38(46)48-33-13-10-29(11-14-33)36(45)44(35-19-31(16-17-39-35)32-20-40-37(41-21-32)42(3)4)24-27-6-8-28(9-7-27)30-12-15-34(47-5)26(2)18-30;1-24(2)35-20-33(40-47-35)31-16-17-39-36(19-31)42(23-27-6-8-28(9-7-27)30-12-15-34(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-23-19-42(20-23)35(46)48-31-11-8-27(9-12-31)34(45)43(33-17-29(14-15-40-33)30-18-41-44(22-30)36(37,38)39)21-25-4-6-26(7-5-25)28-10-13-32(47-3)24(2)16-28/h8,11-12,19-22,25,27-28,30,34H,6-7,9-10,13-18,23-24,26H2,1-5H3;12-13,16-22,26,28-30,34H,6-11,14-15,23-25H2,1-5H3;13,16-21,23,26-28,32H,6-12,14-15,22,24H2,1-5H3,(H,43,48);12,15-21,25,27-29,33H,6-11,13-14,22-24H2,1-5H3;12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;10,13-18,22-23,25-27,31H,4-9,11-12,19-21H2,1-3H3
InChIKeyRFXCVYLQNNDBSH-UHFFFAOYSA-N
XLogP47.06
TPSA565.25 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds55
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003985.08
LogP ≤ 547.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,2-oxazole-5-carboxylate;methyl 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylate
CID 158067667
(4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate
CID 160654187
CID 163439437
CID 163439437
CID 163583611
CID 163583611
[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(1-fluorobutan-2-yl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2R)-2-fluorobutyl]carbamate
CID 163602397
azetidin-1-yl-[3-[5-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-4-yl-1,2-oxazol-3-yl]-2-methoxyphenyl]methanone;N-cyclobutyl-3-[5-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-4-yl-1,2-oxazol-3-yl]benzamide;N-cyclobutyl-3-[5-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-4-yl-1,2-oxazol-3-yl]-2-methoxybenzamide;N-ethyl-3-[5-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-4-yl-1,2-oxazol-3-yl]-2-methoxybenzamide;3-[5-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-4-yl-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide
CID 173923895
[4-[[4-(4-Tert-butylimidazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[6-(1-tert-butylpyrazol-4-yl)pyrazin-2-yl]-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[6-(1-tert-butylpyrazol-4-yl)pyrazin-2-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-tert-butylpyrazol-4-yl)pyrimidin-2-yl]-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-tert-butylpyrazol-4-yl)pyrimidin-2-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;methane
CID 157916213
CID 161713508
CID 161713508
CID 163471103
CID 163471103
CID 163580937
CID 163580937
[4-[[4-(4-Tert-butylimidazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[6-(1-tert-butylpyrazol-4-yl)pyrazin-2-yl]-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-tert-butylpyrazol-4-yl)pyrimidin-2-yl]-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(1-tert-butylpyrazol-4-yl)pyrimidin-2-yl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
CID 163703314
CID 163726865
CID 163726865

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The IUPAC name of [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (CID 163927648) is [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The canonical SMILES for [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is CCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(F)(F)F)c3)ccn2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C(C)C)on4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4ccc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(N(C)C)nc4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnn(C(F)(F)F)c4)ccn3)CC2)cc1C.
What is the InChIKey of [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
The InChIKey is RFXCVYLQNNDBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53N5O4.C39H51N5O4.C38H50F3N5O4.C38H50N6O4.C38H50N4O5.C36H44F3N5O4/c1-27(2)45-25-32(22-42-45)31-12-19-41-36(21-31)44(37(46)30-6-9-34(10-7-30)49-38(47)43-23-28(3)24-43)26-39-13-16-40(17-14-39,18-15-39)33-8-11-35(48-5)29(4)20-33;1-26-23-43(24-26)39(46)48-34-14-10-30(11-15-34)38(45)44(37-21-32(18-19-40-37)33-13-17-36(41-22-33)42(3)4)25-28-6-8-29(9-7-28)31-12-16-35(47-5)27(2)20-31;1-6-37(3,4)24-43-36(48)50-32-14-11-28(12-15-32)35(47)45(34-20-30(17-18-42-34)31-21-44-46(23-31)38(39,40)41)22-26-7-9-27(10-8-26)29-13-16-33(49-5)25(2)19-29;1-25-22-43(23-25)38(46)48-33-13-10-29(11-14-33)36(45)44(35-19-31(16-17-39-35)32-20-40-37(41-21-32)42(3)4)24-27-6-8-28(9-7-27)30-12-15-34(47-5)26(2)18-30;1-24(2)35-20-33(40-47-35)31-16-17-39-36(19-31)42(23-27-6-8-28(9-7-27)30-12-15-34(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-23-19-42(20-23)35(46)48-31-11-8-27(9-12-31)34(45)43(33-17-29(14-15-40-33)30-18-41-44(22-30)36(37,38)39)21-25-4-6-26(7-5-25)28-10-13-32(47-3)24(2)16-28/h8,11-12,19-22,25,27-28,30,34H,6-7,9-10,13-18,23-24,26H2,1-5H3;12-13,16-22,26,28-30,34H,6-11,14-15,23-25H2,1-5H3;13,16-21,23,26-28,32H,6-12,14-15,22,24H2,1-5H3,(H,43,48);12,15-21,25,27-29,33H,6-11,13-14,22-24H2,1-5H3;12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;10,13-18,22-23,25-27,31H,4-9,11-12,19-21H2,1-3H3.
What are the key properties of [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?
[4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate has a molecular weight of 3985.08 g/mol, XLogP of 47.06, 55 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is sourced from PubChem (CID 163927648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).