(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

C127H159F15N10O8 — CID 159095226

IUPAC(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
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(F)(F)F)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C)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)O)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C27H35F3N2O.C26H30F6N2O2.C25H31F3N2O.C25H34N2O2.C24H29F3N2O2/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;1-16-11-18(12-23(33-16)21-14-20(36-3)7-8-22(21)26(30,31)32)24(35)13-19(17(2)25(27,28)29)15-34-9-5-4-6-10-34;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;1-17(2)21(16-27-10-6-5-7-11-27)15-25(29)20-13-19(4)26-24(14-20)23-9-8-22(28)12-18(23)3;1-16-12-19(13-22(28-16)18-6-8-21(9-7-18)24(25,26)27)23(31)14-20(17(2)30)15-29-10-4-3-5-11-29/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,17,19H,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;8-9,12-14,17,21,28H,5-7,10-11,15-16H2,1-4H3;6-9,12-13,17,20,30H,3-5,10-11,14-15H2,1-2H3/t19?,22-;17?,19-;20-;21-;17?,20-/m10001/s1
InChIKeyKCOROROMYDRRLH-KLCKZRGESA-N
MW2238.70 g/mol
LogP31.00
Rot. Bonds37

About (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

(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 (PubChem CID 159095226) has the molecular formula C127H159F15N10O8 and a molecular weight of 2238.70 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159095226
Molecular FormulaC127H159F15N10O8
Molecular Weight2238.70 g/mol
Exact Mass2237.21
IUPAC Name(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
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(F)(F)F)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C)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)O)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C27H35F3N2O.C26H30F6N2O2.C25H31F3N2O.C25H34N2O2.C24H29F3N2O2/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;1-16-11-18(12-23(33-16)21-14-20(36-3)7-8-22(21)26(30,31)32)24(35)13-19(17(2)25(27,28)29)15-34-9-5-4-6-10-34;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;1-17(2)21(16-27-10-6-5-7-11-27)15-25(29)20-13-19(4)26-24(14-20)23-9-8-22(28)12-18(23)3;1-16-12-19(13-22(28-16)18-6-8-21(9-7-18)24(25,26)27)23(31)14-20(17(2)30)15-29-10-4-3-5-11-29/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,17,19H,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;8-9,12-14,17,21,28H,5-7,10-11,15-16H2,1-4H3;6-9,12-13,17,20,30H,3-5,10-11,14-15H2,1-2H3/t19?,22-;17?,19-;20-;21-;17?,20-/m10001/s1
InChIKeyKCOROROMYDRRLH-KLCKZRGESA-N
XLogP31.00
TPSA215.69 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds37
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.70
LogP ≤ 531.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze (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 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

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-[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
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
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-[2-(3,5-Difluoro-4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-4-methylpentanoic acid;bis(2-[2-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-4-methylpentanoic acid);bis(4-methyl-2-[2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid)
CID 160171139
(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
tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde
CID 165087330
5-Cyclopropyl-2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;5-cyclopropyl-2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-3-carboxylic acid;2-[[4-(3-cyclopropyloxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid;2-[(2,6-difluoro-3-methyl-4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 167564976
Anthraquinone-1,4-diyl-hydroquinidine
CID 129757600
3-[2-(5,6-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;methane;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 157282491
3-[6,7-Bis(hydroxymethyl)-1-methylisoquinolin-3-yl]phenol;carbanide;[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1,2-dimethylisoquinolin-2-ium-6-yl]methanol;[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol;[7-(hydroxymethyl)-3-(3-methoxyphenyl)-1,2-dimethylisoquinolin-2-ium-6-yl]methanol
CID 157432037

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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(F)(F)F)cc(C)n2)c1.Cc1cc(C(=O)C[C@@H](CN2CCCCC2)C(C)C)cc(-c2ccc(O)cc2C)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)O)cc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (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?
The InChIKey is KCOROROMYDRRLH-KLCKZRGESA-N. The full InChI is InChI=1S/C27H35F3N2O.C26H30F6N2O2.C25H31F3N2O.C25H34N2O2.C24H29F3N2O2/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;1-16-11-18(12-23(33-16)21-14-20(36-3)7-8-22(21)26(30,31)32)24(35)13-19(17(2)25(27,28)29)15-34-9-5-4-6-10-34;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;1-17(2)21(16-27-10-6-5-7-11-27)15-25(29)20-13-19(4)26-24(14-20)23-9-8-22(28)12-18(23)3;1-16-12-19(13-22(28-16)18-6-8-21(9-7-18)24(25,26)27)23(31)14-20(17(2)30)15-29-10-4-3-5-11-29/h9-10,13-15,19,22H,5-8,11-12,16-17H2,1-4H3;7-8,11-12,14,17,19H,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;8-9,12-14,17,21,28H,5-7,10-11,15-16H2,1-4H3;6-9,12-13,17,20,30H,3-5,10-11,14-15H2,1-2H3/t19?,22-;17?,19-;20-;21-;17?,20-/m10001/s1.
What are the key properties of (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?
(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 has a molecular weight of 2238.70 g/mol, XLogP of 31.00, 37 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159095226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).