About [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate
[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate (PubChem CID 164948425) has the molecular formula C178H195F16N11O22
and a molecular weight of 3144.54 g/mol. Its IUPAC name is [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate?
The IUPAC name of [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate (CID 164948425) is [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate.
What is the SMILES notation for [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate?
The canonical SMILES for [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate is CC(=O)C[C@H](c1cccc(OC(=O)N2CCN(C(C)c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)c1)C1CC1.CC(=O)[C@@H](C)[C@H](c1cccc(OC(=O)C2CCN(C(C)c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)c1)C1CC1.COc1cc(-c2cc(C)c(C(=O)Oc3cccc([C@H](C4CC4)[C@H](C)C(C)=O)c3)cc2CN(C(C)C)C(C)C)c(F)cn1.COc1cc(-c2cc(F)c(C(=O)Oc3cccc(C(C4CC4)[C@H](C)C(C)=O)c3)cc2CN(C(C)C)C(C)C)ccn1.COc1cc(-c2ccc(C(=O)Oc3cccc([C@H](C4CC4)[C@H](C)C(C)=O)c3)cc2)c(F)cn1.COc1cc(-c2cnc(C(=O)Oc3cccc([C@@H](CC(C)=O)C4CC4)c3)cn2)c(F)cn1.
What is the InChIKey of [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate?
The InChIKey is AETOXJFWHMGDAY-WPDQUVDISA-N. The full InChI is InChI=1S/C35H43FN2O4.C34H41FN2O4.C30H33F6NO3.C28H30F6N2O3.C27H26FNO4.C24H22FN3O4/c1-20(2)38(21(3)4)19-27-16-29(22(5)14-30(27)31-17-33(41-8)37-18-32(31)36)35(40)42-28-11-9-10-26(15-28)34(25-12-13-25)23(6)24(7)39;1-20(2)37(21(3)4)19-27-16-30(31(35)18-29(27)25-13-14-36-32(17-25)40-7)34(39)41-28-10-8-9-26(15-28)33(24-11-12-24)22(5)23(6)38;1-17(19(3)38)27(20-7-8-20)22-5-4-6-24(15-22)40-28(39)21-11-13-37(14-12-21)18(2)25-16-23(29(31,32)33)9-10-26(25)30(34,35)36;1-17(37)14-24(19-6-7-19)20-4-3-5-22(15-20)39-26(38)36-12-10-35(11-13-36)18(2)23-16-21(27(29,30)31)8-9-25(23)28(32,33)34;1-16(17(2)30)26(19-9-10-19)21-5-4-6-22(13-21)33-27(31)20-11-7-18(8-12-20)23-14-25(32-3)29-15-24(23)28;1-14(29)8-18(15-6-7-15)16-4-3-5-17(9-16)32-24(30)22-13-26-21(12-27-22)19-10-23(31-2)28-11-20(19)25/h9-11,14-18,20-21,23,25,34H,12-13,19H2,1-8H3;8-10,13-18,20-22,24,33H,11-12,19H2,1-7H3;4-6,9-10,15-18,20-21,27H,7-8,11-14H2,1-3H3;3-5,8-9,15-16,18-19,24H,6-7,10-14H2,1-2H3;4-8,11-16,19,26H,9-10H2,1-3H3;3-5,9-13,15,18H,6-8H2,1-2H3/t23-,34+;22-,33?;17-,18?,27+;18?,24-;16-,26+;18-/m111010/s1.
What are the key properties of [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate?
[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate has a molecular weight of 3144.54 g/mol, XLogP of 40.32, 55 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate is sourced from PubChem (CID 164948425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).