(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol

C69H71F4N9O7 — CID 91593758

IUPAC(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
SMILESCc1ccc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c(C)c1.O[C@H](c1cccnc1-c1ccccc1F)[C@H](c1cccnc1)N1CCOCC1.O[C@H](c1cccnc1-c1ccccc1OC(F)(F)F)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C24H27N3O2.C23H22F3N3O3.C22H22FN3O2/c1-17-7-8-20(18(2)15-17)22-21(6-4-10-26-22)24(28)23(19-5-3-9-25-16-19)27-11-13-29-14-12-27;24-23(25,26)32-19-8-2-1-6-17(19)20-18(7-4-10-28-20)22(30)21(16-5-3-9-27-15-16)29-11-13-31-14-12-29;23-19-8-2-1-6-17(19)20-18(7-4-10-25-20)22(27)21(16-5-3-9-24-15-16)26-11-13-28-14-12-26/h3-10,15-16,23-24,28H,11-14H2,1-2H3;1-10,15,21-22,30H,11-14H2;1-10,15,21-22,27H,11-14H2/t23-,24+;2*21-,22+/m000/s1
InChIKeyXFXVQGPUUPWQKK-MRXKVZSVSA-N
MW1214.37 g/mol
LogP11.41
Rot. Bonds16

About (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol

(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol (PubChem CID 91593758) has the molecular formula C69H71F4N9O7 and a molecular weight of 1214.37 g/mol. Its IUPAC name is (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
PubChem CID91593758
Molecular FormulaC69H71F4N9O7
Molecular Weight1214.37 g/mol
Exact Mass1213.54
IUPAC Name(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
SMILESCc1ccc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c(C)c1.O[C@H](c1cccnc1-c1ccccc1F)[C@H](c1cccnc1)N1CCOCC1.O[C@H](c1cccnc1-c1ccccc1OC(F)(F)F)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C24H27N3O2.C23H22F3N3O3.C22H22FN3O2/c1-17-7-8-20(18(2)15-17)22-21(6-4-10-26-22)24(28)23(19-5-3-9-25-16-19)27-11-13-29-14-12-27;24-23(25,26)32-19-8-2-1-6-17(19)20-18(7-4-10-28-20)22(30)21(16-5-3-9-27-15-16)29-11-13-31-14-12-29;23-19-8-2-1-6-17(19)20-18(7-4-10-25-20)22(27)21(16-5-3-9-24-15-16)26-11-13-28-14-12-26/h3-10,15-16,23-24,28H,11-14H2,1-2H3;1-10,15,21-22,30H,11-14H2;1-10,15,21-22,27H,11-14H2/t23-,24+;2*21-,22+/m000/s1
InChIKeyXFXVQGPUUPWQKK-MRXKVZSVSA-N
XLogP11.41
TPSA184.67 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.37
LogP ≤ 511.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]pyridin-3-yl]ethanol
CID 57612157
[1-[(2,6-Difluoro-3,4,5-trimethylphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 123441171
(R)-[(1S,2S,4S,5R)-5-ethenyl-1-[[4-[[(1S,2S,4S,5R)-5-ethenyl-2-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-2,3,5,6-tetrafluorophenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 130286695
5-[[2,2-Difluoro-2-[5-[3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]oxypyridin-2-yl]ethoxy]methyl]-2-[6-(1,1-difluoro-2-methoxyethyl)pyridin-3-yl]oxy-3-(2-methoxyphenyl)pyridine
CID 135246535
2-[[1-Methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
CID 143618655
2-(1,1-Difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane
CID 145276172
5-(3,5-Difluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;5-(4-fluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;methane;5-(4-methoxyphenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;[4-methyl-3-(2-methylphenyl)-6-phenylpyrazin-4-ium-2-yl]methanol;1,2,5-trimethyl-6-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 157174933
2,4-difluoro-1-propan-2-ylbenzene;6,7-dimethyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;tris(6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline);6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-5-(trifluoromethyl)pyrazine
CID 157710638
4-[(R)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline;(R)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;carbanide;(R)-[5-ethenyl-1-[(4-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(R)-[5-ethenyl-1-[(3-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(R)-[5-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 157949542
2-(1,1-Difluoroethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoroethyl)-5-[[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoroethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(difluoromethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine
CID 158396159
2-(Difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
CID 158448264
8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 158528949

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol?
The IUPAC name of (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol (CID 91593758) is (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol is Cc1ccc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c(C)c1.O[C@H](c1cccnc1-c1ccccc1F)[C@H](c1cccnc1)N1CCOCC1.O[C@H](c1cccnc1-c1ccccc1OC(F)(F)F)[C@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol?
The InChIKey is XFXVQGPUUPWQKK-MRXKVZSVSA-N. The full InChI is InChI=1S/C24H27N3O2.C23H22F3N3O3.C22H22FN3O2/c1-17-7-8-20(18(2)15-17)22-21(6-4-10-26-22)24(28)23(19-5-3-9-25-16-19)27-11-13-29-14-12-27;24-23(25,26)32-19-8-2-1-6-17(19)20-18(7-4-10-28-20)22(30)21(16-5-3-9-27-15-16)29-11-13-31-14-12-29;23-19-8-2-1-6-17(19)20-18(7-4-10-25-20)22(27)21(16-5-3-9-24-15-16)26-11-13-28-14-12-26/h3-10,15-16,23-24,28H,11-14H2,1-2H3;1-10,15,21-22,30H,11-14H2;1-10,15,21-22,27H,11-14H2/t23-,24+;2*21-,22+/m000/s1.
What are the key properties of (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol?
(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol has a molecular weight of 1214.37 g/mol, XLogP of 11.41, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 91593758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).