(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one

C129H160F18N10O7 — CID 160658273

IUPAC(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one
SMILESCCC(C)[C@H](CC(=O)c1cc(C)nc(-c2cc(C)ccc2C(F)(F)F)c1)CN1CCCCC1.COc1ccc(C(F)(F)F)c(-c2cc(C(=O)C[C@@H](CN3CCCCC3)C(C)C)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@H](CN2CCCCC2)C(C)C)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1
InChIInChI=1S/C27H35F3N2O.C26H30F6N2O.C26H33F3N2O2.C25H31F3N2O2.C25H31F3N2O/c1-5-19(3)22(17-32-11-7-6-8-12-32)16-26(33)21-14-20(4)31-25(15-21)23-13-18(2)9-10-24(23)27(28,29)30;1-16(2)19(15-34-9-5-4-6-10-34)13-24(35)18-11-17(3)33-23(12-18)21-8-7-20(25(27,28)29)14-22(21)26(30,31)32;1-17(2)20(16-31-10-6-5-7-11-31)14-25(32)19-12-18(3)30-24(13-19)22-15-21(33-4)8-9-23(22)26(27,28)29;1-16(2)19(15-30-9-5-4-6-10-30)13-24(32)18-11-17(3)29-23(12-18)21-8-7-20(31)14-22(21)25(26,27)28;1-17(2)20(16-30-11-7-4-8-12-30)15-24(31)19-13-18(3)29-23(14-19)21-9-5-6-10-22(21)25(26,27)28/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,16,19H,4-6,9-10,13,15H2,1-3H3;8-9,12-13,15,17,20H,5-7,10-11,14,16H2,1-4H3;7-8,11-12,14,16,19,31H,4-6,9-10,13,15H2,1-3H3;5-6,9-10,13-14,17,20H,4,7-8,11-12,15-16H2,1-3H3/t19?,22-;19-;20-;19-;20-/m11000/s1
InChIKeyRLIIPFDSCHAXBR-FWQDYGNWSA-N
MW2304.73 g/mol
LogP33.47
Rot. Bonds37

About (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one

(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one (PubChem CID 160658273) has the molecular formula C129H160F18N10O7 and a molecular weight of 2304.73 g/mol. Its IUPAC name is (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one.

Molecular Properties

Compound Name(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one
PubChem CID160658273
Molecular FormulaC129H160F18N10O7
Molecular Weight2304.73 g/mol
Exact Mass2303.22
IUPAC Name(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one
SMILESCCC(C)[C@H](CC(=O)c1cc(C)nc(-c2cc(C)ccc2C(F)(F)F)c1)CN1CCCCC1.COc1ccc(C(F)(F)F)c(-c2cc(C(=O)C[C@@H](CN3CCCCC3)C(C)C)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@H](CN2CCCCC2)C(C)C)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1
InChIInChI=1S/C27H35F3N2O.C26H30F6N2O.C26H33F3N2O2.C25H31F3N2O2.C25H31F3N2O/c1-5-19(3)22(17-32-11-7-6-8-12-32)16-26(33)21-14-20(4)31-25(15-21)23-13-18(2)9-10-24(23)27(28,29)30;1-16(2)19(15-34-9-5-4-6-10-34)13-24(35)18-11-17(3)33-23(12-18)21-8-7-20(25(27,28)29)14-22(21)26(30,31)32;1-17(2)20(16-31-10-6-5-7-11-31)14-25(32)19-12-18(3)30-24(13-19)22-15-21(33-4)8-9-23(22)26(27,28)29;1-16(2)19(15-30-9-5-4-6-10-30)13-24(32)18-11-17(3)29-23(12-18)21-8-7-20(31)14-22(21)25(26,27)28;1-17(2)20(16-30-11-7-4-8-12-30)15-24(31)19-13-18(3)29-23(14-19)21-9-5-6-10-22(21)25(26,27)28/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,16,19H,4-6,9-10,13,15H2,1-3H3;8-9,12-13,15,17,20H,5-7,10-11,14,16H2,1-4H3;7-8,11-12,14,16,19,31H,4-6,9-10,13,15H2,1-3H3;5-6,9-10,13-14,17,20H,4,7-8,11-12,15-16H2,1-3H3/t19?,22-;19-;20-;19-;20-/m11000/s1
InChIKeyRLIIPFDSCHAXBR-FWQDYGNWSA-N
XLogP33.47
TPSA195.46 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds37
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.73
LogP ≤ 533.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157114186
1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3,5-dimethylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;methane
CID 157248733
1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
1-[6-(2,4-Difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
CID 157802217
N,N-dimethyl-4-(6-methyl-2-pyridinyl)aniline;2-(4-isocyanophenyl)-6-methylpyridine;methyl 4-(6-methyl-2-pyridinyl)benzoate;N-[4-(6-methyl-2-pyridinyl)phenyl]acetamide;2-methyl-6-[4-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 158388520
2-Cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);octakis(2-methyl-5-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylphenol;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 158881597
1-[4-[3-[4-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[4-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[2-[[(5S)-5-[3-methyl-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methylphenyl]ethanone
CID 158952680
(3R)-1-[2-(4-hydroxy-2-methylphenyl)-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-4-hydroxy-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-5,5,5-trifluoro-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one
CID 159095226
1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone
CID 159150386
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159405308
2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159834075
Bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(1,1-difluoro-2,5-dimethylcyclohexane);3,4-difluoro-1-methoxy-2,5-dimethylbenzene;2,5-dimethylbenzaldehyde;1,4-dimethylcyclohexane;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(1-fluoro-1,4-dimethylcyclohexane);bis(2-fluoro-3,6-dimethylpyridine);1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,1,2,5-tetramethylcyclohexane);bis(1,2,4-trimethylbenzene);bis(1,1,4-trimethylcyclohexane);bis(2,3,6-trimethylpyridine);tris(1,4-xylene)
CID 160040459

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one?
The IUPAC name of (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one (CID 160658273) is (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one.
What is the SMILES notation for (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one?
The canonical SMILES for (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one is CCC(C)[C@H](CC(=O)c1cc(C)nc(-c2cc(C)ccc2C(F)(F)F)c1)CN1CCCCC1.COc1ccc(C(F)(F)F)c(-c2cc(C(=O)C[C@@H](CN3CCCCC3)C(C)C)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccccc2C(F)(F)F)n1.Cc1cc(C(=O)C[C@H](CN2CCCCC2)C(C)C)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1.
What is the InChIKey of (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one?
The InChIKey is RLIIPFDSCHAXBR-FWQDYGNWSA-N. The full InChI is InChI=1S/C27H35F3N2O.C26H30F6N2O.C26H33F3N2O2.C25H31F3N2O2.C25H31F3N2O/c1-5-19(3)22(17-32-11-7-6-8-12-32)16-26(33)21-14-20(4)31-25(15-21)23-13-18(2)9-10-24(23)27(28,29)30;1-16(2)19(15-34-9-5-4-6-10-34)13-24(35)18-11-17(3)33-23(12-18)21-8-7-20(25(27,28)29)14-22(21)26(30,31)32;1-17(2)20(16-31-10-6-5-7-11-31)14-25(32)19-12-18(3)30-24(13-19)22-15-21(33-4)8-9-23(22)26(27,28)29;1-16(2)19(15-30-9-5-4-6-10-30)13-24(32)18-11-17(3)29-23(12-18)21-8-7-20(31)14-22(21)25(26,27)28;1-17(2)20(16-30-11-7-4-8-12-30)15-24(31)19-13-18(3)29-23(14-19)21-9-5-6-10-22(21)25(26,27)28/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,16,19H,4-6,9-10,13,15H2,1-3H3;8-9,12-13,15,17,20H,5-7,10-11,14,16H2,1-4H3;7-8,11-12,14,16,19,31H,4-6,9-10,13,15H2,1-3H3;5-6,9-10,13-14,17,20H,4,7-8,11-12,15-16H2,1-3H3/t19?,22-;19-;20-;19-;20-/m11000/s1.
What are the key properties of (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one?
(3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one has a molecular weight of 2304.73 g/mol, XLogP of 33.47, 37 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3R)-1-[2-[5-methoxy-2-(trifluoromethyl)phenyl]-6-methyl-4-pyridinyl]-4-methyl-3-(piperidin-1-ylmethyl)pentan-1-one;(3S)-4-methyl-1-[2-methyl-6-[5-methyl-2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)hexan-1-one;(3R)-4-methyl-1-[2-methyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(piperidin-1-ylmethyl)pentan-1-one is sourced from PubChem (CID 160658273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).