3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol

C23H19F3N2O3 — CID 90329604

IUPAC3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
SMILESOCC(O)Cc1cn(-c2ccccc2Oc2ccc(C(F)(F)F)cn2)c2ccccc12
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)16-9-10-22(27-12-16)31-21-8-4-3-7-20(21)28-13-15(11-17(30)14-29)18-5-1-2-6-19(18)28/h1-10,12-13,17,29-30H,11,14H2
InChIKeyGIFNESREZATOEQ-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.73
Rot. Bonds6

About 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol

3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol (PubChem CID 90329604) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
PubChem CID90329604
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
SMILESOCC(O)Cc1cn(-c2ccccc2Oc2ccc(C(F)(F)F)cn2)c2ccccc12
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)16-9-10-22(27-12-16)31-21-8-4-3-7-20(21)28-13-15(11-17(30)14-29)18-5-1-2-6-19(18)28/h1-10,12-13,17,29-30H,11,14H2
InChIKeyGIFNESREZATOEQ-UHFFFAOYSA-N
XLogP4.73
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
3-[(2S)-2-amino-3-{[5-(4-fluorophenyl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 10193747
1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)piperidin-1-yl)propan-2-ol
CID 46889812
[5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methanol
CID 76318340
1-Carbazol-9-yl-3-phenoxy-propan-2-ol
CID 3133120
(2R,3R,4S,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11524813
[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
(2S)-1-[[1-(3,3,3-Trifluoropropyl)-4-piperidinylmethyl]amino]-3-(9H-carbazole-4-yloxy)-2-propanol
CID 44331766
(2S,3R,4S,5R)-2-[7-fluoro-1-[(4-methoxyphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
CID 70686571
(2S,3R,4S,5R)-2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
CID 70696980
5-Phenethyl-6-(trifluoromethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indole
CID 71715030

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?
The IUPAC name of 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol (CID 90329604) is 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol.
What is the SMILES notation for 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?
The canonical SMILES for 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol is OCC(O)Cc1cn(-c2ccccc2Oc2ccc(C(F)(F)F)cn2)c2ccccc12.
What is the InChIKey of 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?
The InChIKey is GIFNESREZATOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)16-9-10-22(27-12-16)31-21-8-4-3-7-20(21)28-13-15(11-17(30)14-29)18-5-1-2-6-19(18)28/h1-10,12-13,17,29-30H,11,14H2.
What are the key properties of 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?
3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol has a molecular weight of 428.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol is sourced from PubChem (CID 90329604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).