4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline

C20H17F3N6O — CID 46865481

IUPAC4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(OC[C@H]3CCCN3c3ccnc4ncnn34)c2c1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)13-3-4-16-15(10-13)17(5-7-24-16)30-11-14-2-1-9-28(14)18-6-8-25-19-26-12-27-29(18)19/h3-8,10,12,14H,1-2,9,11H2/t14-/m1/s1
InChIKeyUVAXZJAUWXZJAT-CQSZACIVSA-N
MW414.39 g/mol
LogP3.74
Rot. Bonds4

About 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline

4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline (PubChem CID 46865481) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline
PubChem CID46865481
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(OC[C@H]3CCCN3c3ccnc4ncnn34)c2c1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)13-3-4-16-15(10-13)17(5-7-24-16)30-11-14-2-1-9-28(14)18-6-8-25-19-26-12-27-29(18)19/h3-8,10,12,14H,1-2,9,11H2/t14-/m1/s1
InChIKeyUVAXZJAUWXZJAT-CQSZACIVSA-N
XLogP3.74
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline (CID 46865481) is 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nccc(OC[C@H]3CCCN3c3ccnc4ncnn34)c2c1.
What is the InChIKey of 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline?
The InChIKey is UVAXZJAUWXZJAT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17F3N6O/c21-20(22,23)13-3-4-16-15(10-13)17(5-7-24-16)30-11-14-2-1-9-28(14)18-6-8-25-19-26-12-27-29(18)19/h3-8,10,12,14H,1-2,9,11H2/t14-/m1/s1.
What are the key properties of 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline?
4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline has a molecular weight of 414.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 46865481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).