(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C27H27F6N3O2 — CID 71532059

IUPAC(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCC(C)Oc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)n1
InChIInChI=1S/C27H27F6N3O2/c1-17(2)38-25-12-6-9-20(34-25)14-35-15-23(18-7-5-8-19(13-18)26(28,29)30)36(16-24(37)27(31,32)33)22-11-4-3-10-21(22)35/h3-13,17,23-24,37H,14-16H2,1-2H3/t23-,24+/m0/s1
InChIKeyCMIDTMYSJBUKPX-BJKOFHAPSA-N
MW539.52 g/mol
LogP6.38
Rot. Bonds7

About (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71532059) has the molecular formula C27H27F6N3O2 and a molecular weight of 539.52 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
PubChem CID71532059
Molecular FormulaC27H27F6N3O2
Molecular Weight539.52 g/mol
Exact Mass539.20
IUPAC Name(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCC(C)Oc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)n1
InChIInChI=1S/C27H27F6N3O2/c1-17(2)38-25-12-6-9-20(34-25)14-35-15-23(18-7-5-8-19(13-18)26(28,29)30)36(16-24(37)27(31,32)33)22-11-4-3-10-21(22)35/h3-13,17,23-24,37H,14-16H2,1-2H3/t23-,24+/m0/s1
InChIKeyCMIDTMYSJBUKPX-BJKOFHAPSA-N
XLogP6.38
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70695882
2-Phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
CID 118726432
4-[2-[4-(3-Phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
CID 118726433
1,1,1-Trifluoro-3-((3-phenoxyphenyl)(3-(3-(trifluoromethyl)pyridin-2-yl)benzyl)amino)propan-2-ol
CID 23506009
(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-methoxypyridin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 71532100
(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-methoxypyridin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 71532101
(2R)-3-[(2R)-4-[(6-ethoxypyridin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 71532102
(S)-1-(6-(4-(2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy)phenyl) pyridin-2-yl)ethane-1,2-diol
CID 117616661
2-{1-(4-Ethoxybenzyl)-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl}ethanol
CID 23723412
3-((3-(6-(Trifluoromethyl)pyridin-2-yl)benzyl)(3-phenoxyphenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 44435705
4-[3-[4-(2-Piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol
CID 137007119
2-[2-[(2-methyl-3-phenylphenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633424

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71532059) is (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is CC(C)Oc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)n1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The InChIKey is CMIDTMYSJBUKPX-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H27F6N3O2/c1-17(2)38-25-12-6-9-20(34-25)14-35-15-23(18-7-5-8-19(13-18)26(28,29)30)36(16-24(37)27(31,32)33)22-11-4-3-10-21(22)35/h3-13,17,23-24,37H,14-16H2,1-2H3/t23-,24+/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 539.52 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[(2R)-4-[(6-propan-2-yloxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 71532059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).