N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide

C267H349N27O22S3 — CID 163474033

IUPACN-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)CC1CCC(C(=O)N(CC23CCC(c4ccc(N(C)C)nc4)(CC2)CC3)c2cccc(-c3cnn(C(C)(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5nnc(C(C)C)o5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C39H53N5O2.C39H51N3O4.C39H51N3O3S.C38H51N5O3.C38H47N3O3S.C37H48N4O4.C37H48N4O3S/c1-28(45)22-29-10-12-30(13-11-29)36(46)43(34-9-7-8-31(23-34)32-24-41-44(26-32)37(2,3)4)27-38-16-19-39(20-17-38,21-18-38)33-14-15-35(40-25-33)42(5)6;1-26-21-31(11-12-33(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)32-24-46-36(41-32)37(3,4)5;1-26-21-31(11-12-32(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)33-24-41-36(46-33)37(3,4)5;1-26-19-32(23-40-34(26)46-6)38-15-12-37(13-16-38,14-17-38)25-42(35(45)29-9-7-28(8-10-29)20-27(2)44)33-21-30(11-18-39-33)31-22-41-43(24-31)36(3,4)5;1-25-20-31(10-11-32(25)44-3)38-16-13-37(14-17-38,15-18-38)24-41(36(43)29-6-4-27(5-7-29)21-26(2)42)34-22-30(12-19-39-34)33-23-40-35(45-33)28-8-9-28;1-24(2)33-39-40-34(45-33)29-12-19-38-32(22-29)41(35(43)28-8-6-27(7-9-28)21-26(4)42)23-36-13-16-37(17-14-36,18-15-36)30-10-11-31(44-5)25(3)20-30;1-24(2)34-40-22-31(45-34)29-10-17-38-32(20-29)41(35(43)28-8-6-27(7-9-28)19-26(4)42)23-36-11-14-37(15-12-36,16-13-36)30-18-25(3)33(44-5)39-21-30/h7-9,14-15,23-26,29-30H,10-13,16-22,27H2,1-6H3;2*11-13,20-21,23-24,28-29H,7-10,14-19,22,25H2,1-6H3;11,18-19,21-24,28-29H,7-10,12-17,20,25H2,1-6H3;10-12,19-20,22-23,27-29H,4-9,13-18,21,24H2,1-3H3;10-12,19-20,22,24,27-28H,6-9,13-18,21,23H2,1-5H3;10,17-18,20-22,24,27-28H,6-9,11-16,19,23H2,1-5H3
InChIKeyBYXBQLJNQGJPJI-UHFFFAOYSA-N
MW4385.10 g/mol
LogP59.24
Rot. Bonds66

About N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide

N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 163474033) has the molecular formula C267H349N27O22S3 and a molecular weight of 4385.10 g/mol. Its IUPAC name is N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID163474033
Molecular FormulaC267H349N27O22S3
Molecular Weight4385.10 g/mol
Exact Mass4381.62
IUPAC NameN-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)CC1CCC(C(=O)N(CC23CCC(c4ccc(N(C)C)nc4)(CC2)CC3)c2cccc(-c3cnn(C(C)(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5nnc(C(C)C)o5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ccn4)(CC2)CC3)cc1C
InChIInChI=1S/C39H53N5O2.C39H51N3O4.C39H51N3O3S.C38H51N5O3.C38H47N3O3S.C37H48N4O4.C37H48N4O3S/c1-28(45)22-29-10-12-30(13-11-29)36(46)43(34-9-7-8-31(23-34)32-24-41-44(26-32)37(2,3)4)27-38-16-19-39(20-17-38,21-18-38)33-14-15-35(40-25-33)42(5)6;1-26-21-31(11-12-33(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)32-24-46-36(41-32)37(3,4)5;1-26-21-31(11-12-32(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)33-24-41-36(46-33)37(3,4)5;1-26-19-32(23-40-34(26)46-6)38-15-12-37(13-16-38,14-17-38)25-42(35(45)29-9-7-28(8-10-29)20-27(2)44)33-21-30(11-18-39-33)31-22-41-43(24-31)36(3,4)5;1-25-20-31(10-11-32(25)44-3)38-16-13-37(14-17-38,15-18-38)24-41(36(43)29-6-4-27(5-7-29)21-26(2)42)34-22-30(12-19-39-34)33-23-40-35(45-33)28-8-9-28;1-24(2)33-39-40-34(45-33)29-12-19-38-32(22-29)41(35(43)28-8-6-27(7-9-28)21-26(4)42)23-36-13-16-37(17-14-36,18-15-36)30-10-11-31(44-5)25(3)20-30;1-24(2)34-40-22-31(45-34)29-10-17-38-32(20-29)41(35(43)28-8-6-27(7-9-28)19-26(4)42)23-36-11-14-37(15-12-36,16-13-36)30-18-25(3)33(44-5)39-21-30/h7-9,14-15,23-26,29-30H,10-13,16-22,27H2,1-6H3;2*11-13,20-21,23-24,28-29H,7-10,14-19,22,25H2,1-6H3;11,18-19,21-24,28-29H,7-10,12-17,20,25H2,1-6H3;10-12,19-20,22-23,27-29H,4-9,13-18,21,24H2,1-3H3;10-12,19-20,22,24,27-28H,6-9,13-18,21,23H2,1-5H3;10,17-18,20-22,24,27-28H,6-9,11-16,19,23H2,1-5H3
InChIKeyBYXBQLJNQGJPJI-UHFFFAOYSA-N
XLogP59.24
TPSA575.55 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds66
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004385.10
LogP ≤ 559.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 163474033) is N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide is CC(=O)CC1CCC(C(=O)N(CC23CCC(c4ccc(N(C)C)nc4)(CC2)CC3)c2cccc(-c3cnn(C(C)(C)C)c3)c2)CC1.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C6CC6)s5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5coc(C(C)(C)C)n5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5nnc(C(C)C)o5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnc(C(C)C)s5)ccn4)(CC2)CC3)cc1C.COc1ncc(C23CCC(CN(C(=O)C4CCC(CC(C)=O)CC4)c4cc(-c5cnn(C(C)(C)C)c5)ccn4)(CC2)CC3)cc1C.
What is the InChIKey of N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is BYXBQLJNQGJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53N5O2.C39H51N3O4.C39H51N3O3S.C38H51N5O3.C38H47N3O3S.C37H48N4O4.C37H48N4O3S/c1-28(45)22-29-10-12-30(13-11-29)36(46)43(34-9-7-8-31(23-34)32-24-41-44(26-32)37(2,3)4)27-38-16-19-39(20-17-38,21-18-38)33-14-15-35(40-25-33)42(5)6;1-26-21-31(11-12-33(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)32-24-46-36(41-32)37(3,4)5;1-26-21-31(11-12-32(26)45-6)39-17-14-38(15-18-39,16-19-39)25-42(35(44)29-9-7-28(8-10-29)22-27(2)43)34-23-30(13-20-40-34)33-24-41-36(46-33)37(3,4)5;1-26-19-32(23-40-34(26)46-6)38-15-12-37(13-16-38,14-17-38)25-42(35(45)29-9-7-28(8-10-29)20-27(2)44)33-21-30(11-18-39-33)31-22-41-43(24-31)36(3,4)5;1-25-20-31(10-11-32(25)44-3)38-16-13-37(14-17-38,15-18-38)24-41(36(43)29-6-4-27(5-7-29)21-26(2)42)34-22-30(12-19-39-34)33-23-40-35(45-33)28-8-9-28;1-24(2)33-39-40-34(45-33)29-12-19-38-32(22-29)41(35(43)28-8-6-27(7-9-28)21-26(4)42)23-36-13-16-37(17-14-36,18-15-36)30-10-11-31(44-5)25(3)20-30;1-24(2)34-40-22-31(45-34)29-10-17-38-32(20-29)41(35(43)28-8-6-27(7-9-28)19-26(4)42)23-36-11-14-37(15-12-36,16-13-36)30-18-25(3)33(44-5)39-21-30/h7-9,14-15,23-26,29-30H,10-13,16-22,27H2,1-6H3;2*11-13,20-21,23-24,28-29H,7-10,14-19,22,25H2,1-6H3;11,18-19,21-24,28-29H,7-10,12-17,20,25H2,1-6H3;10-12,19-20,22-23,27-29H,4-9,13-18,21,24H2,1-3H3;10-12,19-20,22,24,27-28H,6-9,13-18,21,23H2,1-5H3;10,17-18,20-22,24,27-28H,6-9,11-16,19,23H2,1-5H3.
What are the key properties of N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 4385.10 g/mol, XLogP of 59.24, 66 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(1-tert-butylpyrazol-4-yl)-2-pyridinyl]-N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(6-methoxy-5-methyl-3-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-oxopropyl)-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 163474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).