[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

C226H303F5N28O26 — CID 163602397

IUPAC[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
SMILESCCC(CF)NC(=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.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.CCc1nc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)co1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(C(C)C)o4)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
InChIInChI=1S/3C38H52FN5O4.C38H50N4O5.C37H49F2N5O4.C37H48N4O5/c1-6-33(21-39)42-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-22-41-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;2*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(2)36-40-20-34(47-36)31-16-17-39-35(19-31)42(23-27-6-8-28(9-7-27)30-12-15-33(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-24(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;1-5-35-39-32(23-45-35)30-16-17-38-34(19-30)41(22-26-6-8-27(9-7-26)29-12-15-33(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)46-37(43)40-20-24(2)21-40/h13,16-20,22,24-25,27-29,33-34H,6-12,14-15,21,23H2,1-5H3,(H,42,46);2*13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,23-24,26-28,31H,5-11,13-14,20-22H2,1-4H3/t;2*27?,28?,29?,33-,34?;;;/m.10.../s1
InChIKeyGYTKOAUMEHOQRS-FMDJSKBWSA-N
MW3923.07 g/mol
LogP48.34
Rot. Bonds65

About [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

[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 (PubChem CID 163602397) has the molecular formula C226H303F5N28O26 and a molecular weight of 3923.07 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID163602397
Molecular FormulaC226H303F5N28O26
Molecular Weight3923.07 g/mol
Exact Mass3920.32
IUPAC Name[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
SMILESCCC(CF)NC(=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.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.CCc1nc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)co1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(C(C)C)o4)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
InChIInChI=1S/3C38H52FN5O4.C38H50N4O5.C37H49F2N5O4.C37H48N4O5/c1-6-33(21-39)42-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-22-41-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;2*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(2)36-40-20-34(47-36)31-16-17-39-35(19-31)42(23-27-6-8-28(9-7-27)30-12-15-33(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-24(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;1-5-35-39-32(23-45-35)30-16-17-38-34(19-30)41(22-26-6-8-27(9-7-26)29-12-15-33(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)46-37(43)40-20-24(2)21-40/h13,16-20,22,24-25,27-29,33-34H,6-12,14-15,21,23H2,1-5H3,(H,42,46);2*13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,23-24,26-28,31H,5-11,13-14,20-22H2,1-4H3/t;2*27?,28?,29?,33-,34?;;;/m.10.../s1
InChIKeyGYTKOAUMEHOQRS-FMDJSKBWSA-N
XLogP48.34
TPSA590.32 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds65
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003923.07
LogP ≤ 548.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCC(CF)NC(=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.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.CCc1nc(-c2ccnc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c2)co1.COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CC(C)C4)CC3)c3cc(-c4cnc(C(C)C)o4)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.
What is the InChIKey of [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?
The InChIKey is GYTKOAUMEHOQRS-FMDJSKBWSA-N. The full InChI is InChI=1S/3C38H52FN5O4.C38H50N4O5.C37H49F2N5O4.C37H48N4O5/c1-6-33(21-39)42-38(46)48-34-14-11-29(12-15-34)37(45)43(36-20-31(17-18-40-36)32-22-41-44(24-32)25(2)3)23-27-7-9-28(10-8-27)30-13-16-35(47-5)26(4)19-30;2*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(2)36-40-20-34(47-36)31-16-17-39-35(19-31)42(23-27-6-8-28(9-7-27)30-12-15-33(45-5)26(4)18-30)37(43)29-10-13-32(14-11-29)46-38(44)41-21-25(3)22-41;1-24(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;1-5-35-39-32(23-45-35)30-16-17-38-34(19-30)41(22-26-6-8-27(9-7-26)29-12-15-33(44-4)25(3)18-29)36(42)28-10-13-31(14-11-28)46-37(43)40-20-24(2)21-40/h13,16-20,22,24-25,27-29,33-34H,6-12,14-15,21,23H2,1-5H3,(H,42,46);2*13,16-21,24-25,27-29,33-34H,6-12,14-15,22-23H2,1-5H3,(H,41,46);12,15-20,24-25,27-29,32H,6-11,13-14,21-23H2,1-5H3;12,15-20,22,24,26-28,32H,6-11,13-14,21,23H2,1-5H3,(H,41,46);12,15-19,23-24,26-28,31H,5-11,13-14,20-22H2,1-4H3/t;2*27?,28?,29?,33-,34?;;;/m.10.../s1.
What are the key properties of [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?
[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 has a molecular weight of 3923.07 g/mol, XLogP of 48.34, 65 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 163602397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).