[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate

C226H297FN28O26S3 — CID 163471103

IUPAC[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate
SMILESCCOc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.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.CCc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C5CC5)no4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-n4cnc(C5CC5)n4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)cc1C
InChIInChI=1S/C39H53N5O4S.C38H52FN5O4.C38H48N4O5.C37H48N6O4.C37H48N4O5S.C37H48N4O4S/c1-26(2)37-41-24-35(49-37)32-16-17-40-36(23-32)44(25-28-6-8-29(9-7-28)31-12-15-34(47-5)27(3)22-31)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(4)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;1-24-21-41(22-24)38(44)46-32-13-10-29(11-14-32)37(43)42(36-19-31(16-17-39-36)35-20-33(40-47-35)28-8-9-28)23-26-4-6-27(7-5-26)30-12-15-34(45-3)25(2)18-30;1-24-20-41(21-24)37(45)47-32-13-10-29(11-14-32)36(44)42(34-19-31(16-17-38-34)43-23-39-35(40-43)28-8-9-28)22-26-4-6-27(7-5-26)30-12-15-33(46-3)25(2)18-30;1-5-45-36-39-20-33(47-36)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)35(42)28-10-13-31(14-11-28)46-37(43)40-21-24(2)22-40;1-5-35-39-20-33(46-35)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)45-37(43)40-21-24(2)22-40/h12,15-17,22-24,26,28-30,33H,6-11,13-14,18-21,25H2,1-5H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24,26-29,32H,4-11,13-14,21-23H2,1-3H3;12,15-19,23-24,26-29,32H,4-11,13-14,20-22H2,1-3H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3/t;27?,28?,29?,33-,34?;;;;/m.0..../s1
InChIKeyBWPKVHMOYOPBGG-NYKLKWQFSA-N
MW3937.23 g/mol
LogP46.69
Rot. Bonds58

About [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate

[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate (PubChem CID 163471103) has the molecular formula C226H297FN28O26S3 and a molecular weight of 3937.23 g/mol. Its IUPAC name is [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate
PubChem CID163471103
Molecular FormulaC226H297FN28O26S3
Molecular Weight3937.23 g/mol
Exact Mass3934.19
IUPAC Name[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate
SMILESCCOc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.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.CCc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C5CC5)no4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-n4cnc(C5CC5)n4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)cc1C
InChIInChI=1S/C39H53N5O4S.C38H52FN5O4.C38H48N4O5.C37H48N6O4.C37H48N4O5S.C37H48N4O4S/c1-26(2)37-41-24-35(49-37)32-16-17-40-36(23-32)44(25-28-6-8-29(9-7-28)31-12-15-34(47-5)27(3)22-31)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(4)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;1-24-21-41(22-24)38(44)46-32-13-10-29(11-14-32)37(43)42(36-19-31(16-17-39-36)35-20-33(40-47-35)28-8-9-28)23-26-4-6-27(7-5-26)30-12-15-34(45-3)25(2)18-30;1-24-20-41(21-24)37(45)47-32-13-10-29(11-14-32)36(44)42(34-19-31(16-17-38-34)43-23-39-35(40-43)28-8-9-28)22-26-4-6-27(7-5-26)30-12-15-33(46-3)25(2)18-30;1-5-45-36-39-20-33(47-36)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)35(42)28-10-13-31(14-11-28)46-37(43)40-21-24(2)22-40;1-5-35-39-20-33(46-35)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)45-37(43)40-21-24(2)22-40/h12,15-17,22-24,26,28-30,33H,6-11,13-14,18-21,25H2,1-5H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24,26-29,32H,4-11,13-14,21-23H2,1-3H3;12,15-19,23-24,26-29,32H,4-11,13-14,20-22H2,1-3H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3/t;27?,28?,29?,33-,34?;;;;/m.0..../s1
InChIKeyBWPKVHMOYOPBGG-NYKLKWQFSA-N
XLogP46.69
TPSA566.31 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds58
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003937.23
LogP ≤ 546.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Analyze [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate with MolForge

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Related Compounds

CID 163752183
CID 163752183
CID 163927648
CID 163927648
CID 163547640
CID 163547640
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[4-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2,2-dimethylpropyl)carbamate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-cyclobutylcarbamate
CID 163661006
CID 164101907
CID 164101907
3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167637775

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate (CID 163471103) is [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate is CCOc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.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.CCc1ncc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)s1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cc(C5CC5)no4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-n4cnc(C5CC5)n4)ccn3)CC2)cc1C.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCN(C)CC4)CC3)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)cc1C.
What is the InChIKey of [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate?
The InChIKey is BWPKVHMOYOPBGG-NYKLKWQFSA-N. The full InChI is InChI=1S/C39H53N5O4S.C38H52FN5O4.C38H48N4O5.C37H48N6O4.C37H48N4O5S.C37H48N4O4S/c1-26(2)37-41-24-35(49-37)32-16-17-40-36(23-32)44(25-28-6-8-29(9-7-28)31-12-15-34(47-5)27(3)22-31)38(45)30-10-13-33(14-11-30)48-39(46)43-20-18-42(4)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;1-24-21-41(22-24)38(44)46-32-13-10-29(11-14-32)37(43)42(36-19-31(16-17-39-36)35-20-33(40-47-35)28-8-9-28)23-26-4-6-27(7-5-26)30-12-15-34(45-3)25(2)18-30;1-24-20-41(21-24)37(45)47-32-13-10-29(11-14-32)36(44)42(34-19-31(16-17-38-34)43-23-39-35(40-43)28-8-9-28)22-26-4-6-27(7-5-26)30-12-15-33(46-3)25(2)18-30;1-5-45-36-39-20-33(47-36)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)35(42)28-10-13-31(14-11-28)46-37(43)40-21-24(2)22-40;1-5-35-39-20-33(46-35)30-16-17-38-34(19-30)41(23-26-6-8-27(9-7-26)29-12-15-32(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)45-37(43)40-21-24(2)22-40/h12,15-17,22-24,26,28-30,33H,6-11,13-14,18-21,25H2,1-5H3;13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24,26-29,32H,4-11,13-14,21-23H2,1-3H3;12,15-19,23-24,26-29,32H,4-11,13-14,20-22H2,1-3H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3;12,15-20,24,26-28,31H,5-11,13-14,21-23H2,1-4H3/t;27?,28?,29?,33-,34?;;;;/m.0..../s1.
What are the key properties of [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate?
[4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate has a molecular weight of 3937.23 g/mol, XLogP of 46.69, 58 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-cyclopropyl-1,2-oxazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethoxy-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-thiazol-5-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-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2S)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 163471103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).