[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate

C229H311F4N29O25S — CID 163429788

IUPAC[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate
SMILESCCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CC[C@@H](F)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C
InChIInChI=1S/C40H56N4O5.C39H51N5O4S.C38H52FN5O4.C38H53N5O4.C37H49F2N5O4.C37H50FN5O4/c1-8-40(5,6)25-42-39(46)49-33-16-13-30(14-17-33)38(45)44(36-22-32(19-20-41-36)34-24-48-37(43-34)26(2)3)23-28-9-11-29(12-10-28)31-15-18-35(47-7)27(4)21-31;1-26-22-31(12-15-34(26)47-3)28-6-4-27(5-7-28)25-44(36-23-32(16-17-40-36)35-24-41-37(49-35)29-8-9-29)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(2)19-21-43;1-6-33(39)22-41-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-21-42-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;1-6-7-19-40-38(45)47-34-15-12-30(13-16-34)37(44)42(36-22-32(18-20-39-36)33-23-41-43(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(46-5)27(4)21-31;1-24(2)44-22-31(20-42-44)30-16-17-40-34(19-30)43(21-26-6-8-27(9-7-26)29-12-15-33(47-5)25(3)18-29)35(45)28-10-13-32(14-11-28)48-36(46)41-23-37(4,38)39;1-24(2)43-23-32(21-41-43)31-16-17-39-35(19-31)42(36(44)29-10-13-33(14-11-29)47-37(45)40-20-26(4)38)22-27-6-8-28(9-7-27)30-12-15-34(46-5)25(3)18-30/h15,18-22,24,26,28-30,33H,8-14,16-17,23,25H2,1-7H3,(H,42,46);12,15-17,22-24,27-30,33H,4-11,13-14,18-21,25H2,1-3H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);14,17-18,20-23,25-26,28-30,34H,6-13,15-16,19,24H2,1-5H3,(H,40,45);12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,21,23-24,26-29,33H,6-11,13-14,20,22H2,1-5H3,(H,40,45)/t;;27?,28?,29?,33-,34?;;;/m..1.../s1
InChIKeyAPMSVLPRXWOERZ-YDCVDTNWSA-N
MW3978.24 g/mol
LogP49.16
Rot. Bonds67

About [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate

[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate (PubChem CID 163429788) has the molecular formula C229H311F4N29O25S and a molecular weight of 3978.24 g/mol. Its IUPAC name is [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate.

Molecular Properties

Compound Name[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate
PubChem CID163429788
Molecular FormulaC229H311F4N29O25S
Molecular Weight3978.24 g/mol
Exact Mass3975.36
IUPAC Name[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate
SMILESCCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CC[C@@H](F)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C
InChIInChI=1S/C40H56N4O5.C39H51N5O4S.C38H52FN5O4.C38H53N5O4.C37H49F2N5O4.C37H50FN5O4/c1-8-40(5,6)25-42-39(46)49-33-16-13-30(14-17-33)38(45)44(36-22-32(19-20-41-36)34-24-48-37(43-34)26(2)3)23-28-9-11-29(12-10-28)31-15-18-35(47-7)27(4)21-31;1-26-22-31(12-15-34(26)47-3)28-6-4-27(5-7-28)25-44(36-23-32(16-17-40-36)35-24-41-37(49-35)29-8-9-29)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(2)19-21-43;1-6-33(39)22-41-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-21-42-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;1-6-7-19-40-38(45)47-34-15-12-30(13-16-34)37(44)42(36-22-32(18-20-39-36)33-23-41-43(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(46-5)27(4)21-31;1-24(2)44-22-31(20-42-44)30-16-17-40-34(19-30)43(21-26-6-8-27(9-7-26)29-12-15-33(47-5)25(3)18-29)35(45)28-10-13-32(14-11-28)48-36(46)41-23-37(4,38)39;1-24(2)43-23-32(21-41-43)31-16-17-39-35(19-31)42(36(44)29-10-13-33(14-11-29)47-37(45)40-20-26(4)38)22-27-6-8-28(9-7-27)30-12-15-34(46-5)25(3)18-30/h15,18-22,24,26,28-30,33H,8-14,16-17,23,25H2,1-7H3,(H,42,46);12,15-17,22-24,27-30,33H,4-11,13-14,18-21,25H2,1-3H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);14,17-18,20-23,25-26,28-30,34H,6-13,15-16,19,24H2,1-5H3,(H,40,45);12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,21,23-24,26-29,33H,6-11,13-14,20,22H2,1-5H3,(H,40,45)/t;;27?,28?,29?,33-,34?;;;/m..1.../s1
InChIKeyAPMSVLPRXWOERZ-YDCVDTNWSA-N
XLogP49.16
TPSA589.21 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds67
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003978.24
LogP ≤ 549.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate with MolForge

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Related Compounds

cumene;N,N-dimethyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-4-propan-2-ylpyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrole;1-oxido-4-propan-2-ylpyridin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenoxy)ethanamine;N'-(3-propan-2-ylphenyl)ethane-1,2-diamine;4-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanamine;(4-propan-2-yl-2-pyridinyl)methanol;1-(4-propan-2-yl-2-pyridinyl)propan-2-one;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158859543
[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
CID 163752183
CID 163752183
1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
CID 167656030
[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3,3-dimethylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] (2R)-2-ethylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-(dimethylamino)pyrrolidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] (2R)-2-ethylazetidine-1-carboxylate;[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-propoxyazetidine-1-carboxylate
CID 157436381
CID 157522609
CID 157522609
CID 157777012
CID 157777012
CID 158484896
CID 158484896
CID 158979634
CID 158979634
CID 160379447
CID 160379447
CID 163419007
CID 163419007
CID 163441477
CID 163441477

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate?
The IUPAC name of [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate (CID 163429788) is [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate.
What is the SMILES notation for [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate?
The canonical SMILES for [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate is CCC(C)(C)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3coc(C(C)C)n3)ccn2)CC1.CCCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CC[C@@H](F)CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)(F)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NCC(C)F)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C.
What is the InChIKey of [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate?
The InChIKey is APMSVLPRXWOERZ-YDCVDTNWSA-N. The full InChI is InChI=1S/C40H56N4O5.C39H51N5O4S.C38H52FN5O4.C38H53N5O4.C37H49F2N5O4.C37H50FN5O4/c1-8-40(5,6)25-42-39(46)49-33-16-13-30(14-17-33)38(45)44(36-22-32(19-20-41-36)34-24-48-37(43-34)26(2)3)23-28-9-11-29(12-10-28)31-15-18-35(47-7)27(4)21-31;1-26-22-31(12-15-34(26)47-3)28-6-4-27(5-7-28)25-44(36-23-32(16-17-40-36)35-24-41-37(49-35)29-8-9-29)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(2)19-21-43;1-6-33(39)22-41-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-21-42-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;1-6-7-19-40-38(45)47-34-15-12-30(13-16-34)37(44)42(36-22-32(18-20-39-36)33-23-41-43(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(46-5)27(4)21-31;1-24(2)44-22-31(20-42-44)30-16-17-40-34(19-30)43(21-26-6-8-27(9-7-26)29-12-15-33(47-5)25(3)18-29)35(45)28-10-13-32(14-11-28)48-36(46)41-23-37(4,38)39;1-24(2)43-23-32(21-41-43)31-16-17-39-35(19-31)42(36(44)29-10-13-33(14-11-29)47-37(45)40-20-26(4)38)22-27-6-8-28(9-7-27)30-12-15-34(46-5)25(3)18-30/h15,18-22,24,26,28-30,33H,8-14,16-17,23,25H2,1-7H3,(H,42,46);12,15-17,22-24,27-30,33H,4-11,13-14,18-21,25H2,1-3H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);14,17-18,20-23,25-26,28-30,34H,6-13,15-16,19,24H2,1-5H3,(H,40,45);12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,21,23-24,26-29,33H,6-11,13-14,20,22H2,1-5H3,(H,40,45)/t;;27?,28?,29?,33-,34?;;;/m..1.../s1.
What are the key properties of [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate?
[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate has a molecular weight of 3978.24 g/mol, XLogP of 49.16, 67 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[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-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate is sourced from PubChem (CID 163429788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).