N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide

C263H349N33O21 — CID 163543285

IUPACN-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1c(C)cc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cncc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4nccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C
InChIInChI=1S/2C38H51N5O3.2C38H50N4O3.3C37H49N5O3/c1-25(2)43-22-31(21-41-43)33-20-34(40-24-39-33)42(36(45)30-9-7-29(8-10-30)19-28(5)44)23-37-11-14-38(15-12-37,16-13-37)32-17-26(3)35(46-6)27(4)18-32;1-26-19-31(11-12-33(26)46-6)38-16-13-37(14-17-38,15-18-38)24-42(35(45)29-9-7-28(8-10-29)20-27(2)44)34-21-32(39-25-40-34)30-22-41-43(23-30)36(3,4)5;1-26(2)42-24-32(22-40-42)31-7-6-8-34(21-31)41(36(44)30-11-9-29(10-12-30)20-28(4)43)25-37-13-16-38(17-14-37,18-15-37)33-19-27(3)35(45-5)39-23-33;1-26(2)42-24-31(23-39-42)33-7-6-8-35(40-33)41(36(44)30-11-9-29(10-12-30)22-28(4)43)25-37-15-18-38(19-16-37,20-17-37)32-13-14-34(45-5)27(3)21-32;1-25(2)42-23-31(21-40-42)30-10-17-38-33(20-30)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-11-14-37(15-12-36,16-13-36)32-18-26(3)34(45-5)39-22-32;1-25(2)42-23-30(22-39-42)32-12-19-38-35(40-32)41(34(44)29-8-6-28(7-9-29)21-27(4)43)24-36-13-16-37(17-14-36,18-15-36)31-10-11-33(45-5)26(3)20-31;1-25(2)42-23-30(20-39-42)32-21-38-22-34(40-32)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-12-15-37(16-13-36,17-14-36)31-10-11-33(45-5)26(3)18-31/h17-18,20-22,24-25,29-30H,7-16,19,23H2,1-6H3;11-12,19,21-23,25,28-29H,7-10,13-18,20,24H2,1-6H3;6-8,19,21-24,26,29-30H,9-18,20,25H2,1-5H3;6-8,13-14,21,23-24,26,29-30H,9-12,15-20,22,25H2,1-5H3;10,17-18,20-23,25,28-29H,6-9,11-16,19,24H2,1-5H3;10-12,19-20,22-23,25,28-29H,6-9,13-18,21,24H2,1-5H3;10-11,18,20-23,25,28-29H,6-9,12-17,19,24H2,1-5H3
InChIKeyFCXOKZZLDXZXFZ-UHFFFAOYSA-N
MW4308.89 g/mol
LogP55.23
Rot. Bonds69

About N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide

N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 163543285) has the molecular formula C263H349N33O21 and a molecular weight of 4308.89 g/mol. Its IUPAC name is N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID163543285
Molecular FormulaC263H349N33O21
Molecular Weight4308.89 g/mol
Exact Mass4305.73
IUPAC NameN-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1c(C)cc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cncc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4nccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C
InChIInChI=1S/2C38H51N5O3.2C38H50N4O3.3C37H49N5O3/c1-25(2)43-22-31(21-41-43)33-20-34(40-24-39-33)42(36(45)30-9-7-29(8-10-30)19-28(5)44)23-37-11-14-38(15-12-37,16-13-37)32-17-26(3)35(46-6)27(4)18-32;1-26-19-31(11-12-33(26)46-6)38-16-13-37(14-17-38,15-18-38)24-42(35(45)29-9-7-28(8-10-29)20-27(2)44)34-21-32(39-25-40-34)30-22-41-43(23-30)36(3,4)5;1-26(2)42-24-32(22-40-42)31-7-6-8-34(21-31)41(36(44)30-11-9-29(10-12-30)20-28(4)43)25-37-13-16-38(17-14-37,18-15-37)33-19-27(3)35(45-5)39-23-33;1-26(2)42-24-31(23-39-42)33-7-6-8-35(40-33)41(36(44)30-11-9-29(10-12-30)22-28(4)43)25-37-15-18-38(19-16-37,20-17-37)32-13-14-34(45-5)27(3)21-32;1-25(2)42-23-31(21-40-42)30-10-17-38-33(20-30)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-11-14-37(15-12-36,16-13-36)32-18-26(3)34(45-5)39-22-32;1-25(2)42-23-30(22-39-42)32-12-19-38-35(40-32)41(34(44)29-8-6-28(7-9-29)21-27(4)43)24-36-13-16-37(17-14-36,18-15-36)31-10-11-33(45-5)26(3)20-31;1-25(2)42-23-30(20-39-42)32-21-38-22-34(40-32)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-12-15-37(16-13-36,17-14-36)31-10-11-33(45-5)26(3)18-31/h17-18,20-22,24-25,29-30H,7-16,19,23H2,1-6H3;11-12,19,21-23,25,28-29H,7-10,13-18,20,24H2,1-6H3;6-8,19,21-24,26,29-30H,9-18,20,25H2,1-5H3;6-8,13-14,21,23-24,26,29-30H,9-12,15-20,22,25H2,1-5H3;10,17-18,20-23,25,28-29H,6-9,11-16,19,24H2,1-5H3;10-12,19-20,22-23,25,28-29H,6-9,13-18,21,24H2,1-5H3;10-11,18,20-23,25,28-29H,6-9,12-17,19,24H2,1-5H3
InChIKeyFCXOKZZLDXZXFZ-UHFFFAOYSA-N
XLogP55.23
TPSA605.69 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds69
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004308.89
LogP ≤ 555.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 163543285) is N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is COc1c(C)cc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ncn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cncc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4nccc(-c5cnn(C(C)C)c5)n4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)C)c5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cccc(-c5cnn(C(C)C)c5)c4)(CC2)CC3)cc1C.
What is the InChIKey of N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is FCXOKZZLDXZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H51N5O3.2C38H50N4O3.3C37H49N5O3/c1-25(2)43-22-31(21-41-43)33-20-34(40-24-39-33)42(36(45)30-9-7-29(8-10-30)19-28(5)44)23-37-11-14-38(15-12-37,16-13-37)32-17-26(3)35(46-6)27(4)18-32;1-26-19-31(11-12-33(26)46-6)38-16-13-37(14-17-38,15-18-38)24-42(35(45)29-9-7-28(8-10-29)20-27(2)44)34-21-32(39-25-40-34)30-22-41-43(23-30)36(3,4)5;1-26(2)42-24-32(22-40-42)31-7-6-8-34(21-31)41(36(44)30-11-9-29(10-12-30)20-28(4)43)25-37-13-16-38(17-14-37,18-15-37)33-19-27(3)35(45-5)39-23-33;1-26(2)42-24-31(23-39-42)33-7-6-8-35(40-33)41(36(44)30-11-9-29(10-12-30)22-28(4)43)25-37-15-18-38(19-16-37,20-17-37)32-13-14-34(45-5)27(3)21-32;1-25(2)42-23-31(21-40-42)30-10-17-38-33(20-30)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-11-14-37(15-12-36,16-13-36)32-18-26(3)34(45-5)39-22-32;1-25(2)42-23-30(22-39-42)32-12-19-38-35(40-32)41(34(44)29-8-6-28(7-9-29)21-27(4)43)24-36-13-16-37(17-14-36,18-15-36)31-10-11-33(45-5)26(3)20-31;1-25(2)42-23-30(20-39-42)32-21-38-22-34(40-32)41(35(44)29-8-6-28(7-9-29)19-27(4)43)24-36-12-15-37(16-13-36,17-14-36)31-10-11-33(45-5)26(3)18-31/h17-18,20-22,24-25,29-30H,7-16,19,23H2,1-6H3;11-12,19,21-23,25,28-29H,7-10,13-18,20,24H2,1-6H3;6-8,19,21-24,26,29-30H,9-18,20,25H2,1-5H3;6-8,13-14,21,23-24,26,29-30H,9-12,15-20,22,25H2,1-5H3;10,17-18,20-23,25,28-29H,6-9,11-16,19,24H2,1-5H3;10-12,19-20,22-23,25,28-29H,6-9,13-18,21,24H2,1-5H3;10-11,18,20-23,25,28-29H,6-9,12-17,19,24H2,1-5H3.
What are the key properties of N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 4308.89 g/mol, XLogP of 55.23, 69 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-tert-butylpyrazol-4-yl)pyrimidin-4-yl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3,5-dimethylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)pyrazin-2-yl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[6-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 163543285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).