N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

C166H184F7N17O17S2 — CID 161207203

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1.COCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.COc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.CS(=O)(=O)Nc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C34H38FN3O3.C33H34F3N3O3.C33H37FN4O4S.C33H39FN4O4S.C33H36FN3O3/c1-40-18-23-5-7-24(8-6-23)26-3-2-4-27(17-26)38(30(39)33-19-34(35,20-33)21-33)22-31-11-14-32(15-12-31,16-13-31)29-36-28(37-41-29)25-9-10-25;34-29(35)41-25-8-6-21(7-9-25)23-2-1-3-24(16-23)39(28(40)32-17-33(36,18-32)19-32)20-30-10-13-31(14-11-30,15-12-30)27-37-26(38-42-27)22-4-5-22;1-43(40,41)37-25-9-7-22(8-10-25)24-3-2-4-26(17-24)38(29(39)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-42-28)23-5-6-23;1-22(2)27-35-28(42-36-27)31-14-11-30(12-15-31,13-16-31)21-38(29(39)32-18-33(34,19-32)20-32)26-6-4-5-24(17-26)23-7-9-25(10-8-23)37-43(3,40)41;1-39-26-9-7-22(8-10-26)24-3-2-4-25(17-24)37(29(38)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-40-28)23-5-6-23/h2-8,17,25H,9-16,18-22H2,1H3;1-3,6-9,16,22,29H,4-5,10-15,17-20H2;2-4,7-10,17,23,37H,5-6,11-16,18-21H2,1H3;4-10,17,22,37H,11-16,18-21H2,1-3H3;2-4,7-10,17,23H,5-6,11-16,18-21H2,1H3
InChIKeyUVTLCCMNAXPSEX-UHFFFAOYSA-N
MW2886.52 g/mol
LogP35.40
Rot. Bonds44

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 161207203) has the molecular formula C166H184F7N17O17S2 and a molecular weight of 2886.52 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID161207203
Molecular FormulaC166H184F7N17O17S2
Molecular Weight2886.52 g/mol
Exact Mass2884.34
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1.COCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.COc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.CS(=O)(=O)Nc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C34H38FN3O3.C33H34F3N3O3.C33H37FN4O4S.C33H39FN4O4S.C33H36FN3O3/c1-40-18-23-5-7-24(8-6-23)26-3-2-4-27(17-26)38(30(39)33-19-34(35,20-33)21-33)22-31-11-14-32(15-12-31,16-13-31)29-36-28(37-41-29)25-9-10-25;34-29(35)41-25-8-6-21(7-9-25)23-2-1-3-24(16-23)39(28(40)32-17-33(36,18-32)19-32)20-30-10-13-31(14-11-30,15-12-30)27-37-26(38-42-27)22-4-5-22;1-43(40,41)37-25-9-7-22(8-10-25)24-3-2-4-26(17-24)38(29(39)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-42-28)23-5-6-23;1-22(2)27-35-28(42-36-27)31-14-11-30(12-15-31,13-16-31)21-38(29(39)32-18-33(34,19-32)20-32)26-6-4-5-24(17-26)23-7-9-25(10-8-23)37-43(3,40)41;1-39-26-9-7-22(8-10-26)24-3-2-4-25(17-24)37(29(38)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-40-28)23-5-6-23/h2-8,17,25H,9-16,18-22H2,1H3;1-3,6-9,16,22,29H,4-5,10-15,17-20H2;2-4,7-10,17,23,37H,5-6,11-16,18-21H2,1H3;4-10,17,22,37H,11-16,18-21H2,1-3H3;2-4,7-10,17,23H,5-6,11-16,18-21H2,1H3
InChIKeyUVTLCCMNAXPSEX-UHFFFAOYSA-N
XLogP35.40
TPSA416.18 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002886.52
LogP ≤ 535.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 161207203) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1.COCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.COc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.CS(=O)(=O)Nc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2.
What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is UVTLCCMNAXPSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN3O3.C33H34F3N3O3.C33H37FN4O4S.C33H39FN4O4S.C33H36FN3O3/c1-40-18-23-5-7-24(8-6-23)26-3-2-4-27(17-26)38(30(39)33-19-34(35,20-33)21-33)22-31-11-14-32(15-12-31,16-13-31)29-36-28(37-41-29)25-9-10-25;34-29(35)41-25-8-6-21(7-9-25)23-2-1-3-24(16-23)39(28(40)32-17-33(36,18-32)19-32)20-30-10-13-31(14-11-30,15-12-30)27-37-26(38-42-27)22-4-5-22;1-43(40,41)37-25-9-7-22(8-10-25)24-3-2-4-26(17-24)38(29(39)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-42-28)23-5-6-23;1-22(2)27-35-28(42-36-27)31-14-11-30(12-15-31,13-16-31)21-38(29(39)32-18-33(34,19-32)20-32)26-6-4-5-24(17-26)23-7-9-25(10-8-23)37-43(3,40)41;1-39-26-9-7-22(8-10-26)24-3-2-4-25(17-24)37(29(38)32-18-33(34,19-32)20-32)21-30-11-14-31(15-12-30,16-13-30)28-35-27(36-40-28)23-5-6-23/h2-8,17,25H,9-16,18-22H2,1H3;1-3,6-9,16,22,29H,4-5,10-15,17-20H2;2-4,7-10,17,23,37H,5-6,11-16,18-21H2,1H3;4-10,17,22,37H,11-16,18-21H2,1-3H3;2-4,7-10,17,23H,5-6,11-16,18-21H2,1H3.
What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2886.52 g/mol, XLogP of 35.40, 44 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 161207203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).