5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane

C15H19F3N2O — CID 157032861

IUPAC5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
SMILESCC(C)N1CC(Oc2ccc(C(F)(F)F)cn2)C2(CC2)C1
InChIInChI=1S/C15H19F3N2O/c1-10(2)20-8-12(14(9-20)5-6-14)21-13-4-3-11(7-19-13)15(16,17)18/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyQQEVAZIYMYBXDY-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.35
Rot. Bonds3

About 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane

5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane (PubChem CID 157032861) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
PubChem CID157032861
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
SMILESCC(C)N1CC(Oc2ccc(C(F)(F)F)cn2)C2(CC2)C1
InChIInChI=1S/C15H19F3N2O/c1-10(2)20-8-12(14(9-20)5-6-14)21-13-4-3-11(7-19-13)15(16,17)18/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyQQEVAZIYMYBXDY-UHFFFAOYSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 157032703
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 166826439
4-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-2-(trifluoromethyl)pyrimidine
CID 157032640
6-(2,4-dimethoxypyrimidin-5-yl)-8-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptan-5-yl]imidazo[1,2-b]pyridazine
CID 157033002
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane?
The IUPAC name of 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane (CID 157032861) is 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane is CC(C)N1CC(Oc2ccc(C(F)(F)F)cn2)C2(CC2)C1.
What is the InChIKey of 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane?
The InChIKey is QQEVAZIYMYBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)20-8-12(14(9-20)5-6-14)21-13-4-3-11(7-19-13)15(16,17)18/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane?
5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane has a molecular weight of 300.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane is sourced from PubChem (CID 157032861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).