(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C26H24F6N4O — CID 138805892

IUPAC(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCCc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC(F)(F)F
InChIInChI=1S/C26H24F6N4O/c1-4-17-18-10-15(6-7-21(18)35-20(5-2)19(17)12-24(27,28)29)25(37,23-13-33-14-36(23)3)16-8-9-34-22(11-16)26(30,31)32/h6-11,13-14,37H,4-5,12H2,1-3H3/t25-/m0/s1
InChIKeyZLGSXVYFJPOYCC-VWLOTQADSA-N
MW522.49 g/mol
LogP5.90
Rot. Bonds6

About (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 138805892) has the molecular formula C26H24F6N4O and a molecular weight of 522.49 g/mol. Its IUPAC name is (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID138805892
Molecular FormulaC26H24F6N4O
Molecular Weight522.49 g/mol
Exact Mass522.19
IUPAC Name(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCCc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC(F)(F)F
InChIInChI=1S/C26H24F6N4O/c1-4-17-18-10-15(6-7-21(18)35-20(5-2)19(17)12-24(27,28)29)25(37,23-13-33-14-36(23)3)16-8-9-34-22(11-16)26(30,31)32/h6-11,13-14,37H,4-5,12H2,1-3H3/t25-/m0/s1
InChIKeyZLGSXVYFJPOYCC-VWLOTQADSA-N
XLogP5.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol with MolForge

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Related Compounds

6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxy-3-(2,2,2-trifluoroethoxy)quinoline-4-carbonitrile
CID 118022560
(S)-[4-chloro-2-methoxy-3-(3,3,3-trifluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 138805908
[4-chloro-2-ethyl-3-(3,3,3-trifluoropropyl)quinolin-6-yl]-(4-ethylphenyl)-(3-methylimidazol-4-yl)methanol
CID 138637460
[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 118022713
(S)-[4-chloro-2-methoxy-3-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 138805858
(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118022450
[4-chloro-2-methoxy-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 118031295
[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118006170
[2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 129131745
[4-chloro-3-(2-ethylpyrimidin-5-yl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118014390
3-[(4-fluorophenyl)methyl]-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2,4-dicarbonitrile
CID 118006681
3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carbonitrile
CID 118006443

Frequently Asked Questions

What is the IUPAC name of (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 138805892) is (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is CCc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC(F)(F)F.
What is the InChIKey of (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is ZLGSXVYFJPOYCC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24F6N4O/c1-4-17-18-10-15(6-7-21(18)35-20(5-2)19(17)12-24(27,28)29)25(37,23-13-33-14-36(23)3)16-8-9-34-22(11-16)26(30,31)32/h6-11,13-14,37H,4-5,12H2,1-3H3/t25-/m0/s1.
What are the key properties of (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
(S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 522.49 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2,4-diethyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 138805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).