[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

C163H221N23O16 — CID 163703314

About [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

[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 (PubChem CID 163703314) has the molecular formula C163H221N23O16 and a molecular weight of 2758.71 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 163703314
• Molecular Formula: C163H221N23O16
• Molecular Weight: 2758.71 g/mol
• Exact Mass: 2756.72
• IUPAC Name: [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
• SMILES: COc1c(C)cc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cncc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C.COc1c(C)cc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4nccc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-n5cnc(C(C)(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4nccc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C
• InChI: InChI=1S/2C41H56N6O4.C41H55N5O4.C40H54N6O4/c1-27-23-45(24-27)38(49)51-33-10-8-30(9-11-33)36(48)46(37-42-19-12-34(44-37)31-22-43-47(25-31)39(4,5)6)26-40-13-16-41(17-14-40,18-15-40)32-20-28(2)35(50-7)29(3)21-32;1-27-23-45(24-27)38(49)51-33-10-8-30(9-11-33)37(48)46(35-22-42-21-34(44-35)31-20-43-47(25-31)39(4,5)6)26-40-12-15-41(16-13-40,17-14-40)32-18-28(2)36(50-7)29(3)19-32;1-28-23-44(24-28)38(48)50-33-10-7-30(8-11-33)37(47)46(36-22-32(13-20-42-36)45-25-35(43-27-45)39(3,4)5)26-40-14-17-41(18-15-40,19-16-40)31-9-12-34(49-6)29(2)21-31;1-27-23-44(24-27)37(48)50-32-10-7-29(8-11-32)35(47)45(36-41-20-13-33(43-36)30-22-42-46(25-30)38(3,4)5)26-39-14-17-40(18-15-39,19-16-39)31-9-12-34(49-6)28(2)21-31/h12,19-22,25,27,30,33H,8-11,13-18,23-24,26H2,1-7H3;18-22,25,27,30,33H,8-17,23-24,26H2,1-7H3;9,12-13,20-22,25,27-28,30,33H,7-8,10-11,14-19,23-24,26H2,1-6H3;9,12-13,20-22,25,27,29,32H,7-8,10-11,14-19,23-24,26H2,1-6H3
• InChIKey: KCXDWYUORXLQMQ-UHFFFAOYSA-N
• XLogP: 31.82
• TPSA: 397.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.71
LogP ≤ 5	31.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is COc1c(C)cc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cncc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C.COc1c(C)cc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4nccc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-n5cnc(C(C)(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4nccc(-c5cnn(C(C)(C)C)c5)n4)(CC2)CC3)cc1C.

What is the InChIKey of [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?

The InChIKey is KCXDWYUORXLQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H56N6O4.C41H55N5O4.C40H54N6O4/c1-27-23-45(24-27)38(49)51-33-10-8-30(9-11-33)36(48)46(37-42-19-12-34(44-37)31-22-43-47(25-31)39(4,5)6)26-40-13-16-41(17-14-40,18-15-40)32-20-28(2)35(50-7)29(3)21-32;1-27-23-45(24-27)38(49)51-33-10-8-30(9-11-33)37(48)46(35-22-42-21-34(44-35)31-20-43-47(25-31)39(4,5)6)26-40-12-15-41(16-13-40,17-14-40)32-18-28(2)36(50-7)29(3)19-32;1-28-23-44(24-28)38(48)50-33-10-7-30(8-11-33)37(47)46(36-22-32(13-20-42-36)45-25-35(43-27-45)39(3,4)5)26-40-14-17-41(18-15-40,19-16-40)31-9-12-34(49-6)29(2)21-31;1-27-23-44(24-27)37(48)50-32-10-7-29(8-11-32)35(47)45(36-41-20-13-33(43-36)30-22-42-46(25-30)38(3,4)5)26-39-14-17-40(18-15-39,19-16-39)31-9-12-34(49-6)28(2)21-31/h12,19-22,25,27,30,33H,8-11,13-18,23-24,26H2,1-7H3;18-22,25,27,30,33H,8-17,23-24,26H2,1-7H3;9,12-13,20-22,25,27-28,30,33H,7-8,10-11,14-19,23-24,26H2,1-6H3;9,12-13,20-22,25,27,29,32H,7-8,10-11,14-19,23-24,26H2,1-6H3.

What are the key properties of [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?

[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 has a molecular weight of 2758.71 g/mol, XLogP of 31.82, 32 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 163703314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).