[4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

C238H310F4N30O24 — CID 163583611

About [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate

[4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (PubChem CID 163583611) has the molecular formula C238H310F4N30O24 and a molecular weight of 4051.28 g/mol. Its IUPAC name is [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
• PubChem CID: 163583611
• Molecular Formula: C238H310F4N30O24
• Molecular Weight: 4051.28 g/mol
• Exact Mass: 4048.39
• IUPAC Name: [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
• SMILES: CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(C(C)C)cc5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C(F)(F)F)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1F.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5nc(C(C)C)no5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5nnc(C(C)C)o5)ccn4)(CC2)CC3)cc1C.Cc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C
• InChI: InChI=1S/C41H55N5O3.C40H50F3N5O4.C40H53N5O3.C39H50FN5O4.2C39H51N5O5/c1-28(2)31-6-10-35(11-7-31)41-18-15-40(16-19-41,17-20-41)27-45(37-22-33(14-21-42-37)34-23-43-46(26-34)29(3)4)38(47)32-8-12-36(13-9-32)49-39(48)44-24-30(5)25-44;1-26-22-46(23-26)37(50)52-33-8-5-29(6-9-33)36(49)47(35-20-30(11-18-44-35)31-21-45-48(24-31)28(3)40(41,42)43)25-38-12-15-39(16-13-38,17-14-38)32-7-10-34(51-4)27(2)19-32;1-27(2)45-25-33(22-42-45)32-12-19-41-36(21-32)44(37(46)31-7-10-35(11-8-31)48-38(47)43-23-28(3)24-43)26-39-13-16-40(17-14-39,18-15-39)34-9-6-29(4)30(5)20-34;1-26(2)45-24-30(21-42-45)29-11-18-41-35(19-29)44(36(46)28-5-8-32(9-6-28)49-37(47)43-22-27(3)23-43)25-38-12-15-39(16-13-38,17-14-38)31-7-10-34(48-4)33(40)20-31;1-25(2)34-41-42-35(49-34)29-12-19-40-33(21-29)44(36(45)28-6-9-31(10-7-28)48-37(46)43-22-26(3)23-43)24-38-13-16-39(17-14-38,18-15-38)30-8-11-32(47-5)27(4)20-30;1-25(2)34-41-35(49-42-34)29-12-19-40-33(21-29)44(36(45)28-6-9-31(10-7-28)48-37(46)43-22-26(3)23-43)24-38-13-16-39(17-14-38,18-15-38)30-8-11-32(47-5)27(4)20-30/h6-7,10-11,14,21-23,26,28-30,32,36H,8-9,12-13,15-20,24-25,27H2,1-5H3;7,10-11,18-21,24,26,28-29,33H,5-6,8-9,12-17,22-23,25H2,1-4H3;6,9,12,19-22,25,27-28,31,35H,7-8,10-11,13-18,23-24,26H2,1-5H3;7,10-11,18-21,24,26-28,32H,5-6,8-9,12-17,22-23,25H2,1-4H3;2*8,11-12,19-21,25-26,28,31H,6-7,9-10,13-18,22-24H2,1-5H3
• InChIKey: GJQGYGPPFWJFMG-UHFFFAOYSA-N
• XLogP: 49.63
• TPSA: 562.48 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 53
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4051.28
LogP ≤ 5	49.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?

The IUPAC name of [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate (CID 163583611) is [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate.

What is the SMILES notation for [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?

The canonical SMILES for [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is CC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(C(C)C)cc5)(CC3)CC4)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)C1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C(F)(F)F)c5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1F.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5nc(C(C)C)no5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5nnc(C(C)C)o5)ccn4)(CC2)CC3)cc1C.Cc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.

What is the InChIKey of [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?

The InChIKey is GJQGYGPPFWJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55N5O3.C40H50F3N5O4.C40H53N5O3.C39H50FN5O4.2C39H51N5O5/c1-28(2)31-6-10-35(11-7-31)41-18-15-40(16-19-41,17-20-41)27-45(37-22-33(14-21-42-37)34-23-43-46(26-34)29(3)4)38(47)32-8-12-36(13-9-32)49-39(48)44-24-30(5)25-44;1-26-22-46(23-26)37(50)52-33-8-5-29(6-9-33)36(49)47(35-20-30(11-18-44-35)31-21-45-48(24-31)28(3)40(41,42)43)25-38-12-15-39(16-13-38,17-14-38)32-7-10-34(51-4)27(2)19-32;1-27(2)45-25-33(22-42-45)32-12-19-41-36(21-32)44(37(46)31-7-10-35(11-8-31)48-38(47)43-23-28(3)24-43)26-39-13-16-40(17-14-39,18-15-39)34-9-6-29(4)30(5)20-34;1-26(2)45-24-30(21-42-45)29-11-18-41-35(19-29)44(36(46)28-5-8-32(9-6-28)49-37(47)43-22-27(3)23-43)25-38-12-15-39(16-13-38,17-14-38)31-7-10-34(48-4)33(40)20-31;1-25(2)34-41-42-35(49-34)29-12-19-40-33(21-29)44(36(45)28-6-9-31(10-7-28)48-37(46)43-22-26(3)23-43)24-38-13-16-39(17-14-38,18-15-38)30-8-11-32(47-5)27(4)20-30;1-25(2)34-41-35(49-42-34)29-12-19-40-33(21-29)44(36(45)28-6-9-31(10-7-28)48-37(46)43-22-26(3)23-43)24-38-13-16-39(17-14-38,18-15-38)30-8-11-32(47-5)27(4)20-30/h6-7,10-11,14,21-23,26,28-30,32,36H,8-9,12-13,15-20,24-25,27H2,1-5H3;7,10-11,18-21,24,26,28-29,33H,5-6,8-9,12-17,22-23,25H2,1-4H3;6,9,12,19-22,25,27-28,31,35H,7-8,10-11,13-18,23-24,26H2,1-5H3;7,10-11,18-21,24,26-28,32H,5-6,8-9,12-17,22-23,25H2,1-4H3;2*8,11-12,19-21,25-26,28,31H,6-7,9-10,13-18,22-24H2,1-5H3.

What are the key properties of [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate?

[4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate has a molecular weight of 4051.28 g/mol, XLogP of 49.63, 53 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(3,4-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(3-fluoro-4-methoxyphenyl)-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)-1-bicyclo[2.2.2]octanyl]methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-propan-2-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate is sourced from PubChem (CID 163583611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).