(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone

C20H25F3N2O3 — CID 164710342

IUPAC(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C(F)(F)F)nc4)CC3)C2)C1
InChIInChI=1S/C20H25F3N2O3/c1-18(27)8-13(9-18)17(26)25-11-19(12-25)6-4-14(5-7-19)28-15-2-3-16(24-10-15)20(21,22)23/h2-3,10,13-14,27H,4-9,11-12H2,1H3
InChIKeyRPHGSMLHDUJZAY-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.41
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 164710342) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID164710342
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C(F)(F)F)nc4)CC3)C2)C1
InChIInChI=1S/C20H25F3N2O3/c1-18(27)8-13(9-18)17(26)25-11-19(12-25)6-4-14(5-7-19)28-15-2-3-16(24-10-15)20(21,22)23/h2-3,10,13-14,27H,4-9,11-12H2,1H3
InChIKeyRPHGSMLHDUJZAY-UHFFFAOYSA-N
XLogP3.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone (CID 164710342) is (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone is CC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C(F)(F)F)nc4)CC3)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is RPHGSMLHDUJZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-18(27)8-13(9-18)17(26)25-11-19(12-25)6-4-14(5-7-19)28-15-2-3-16(24-10-15)20(21,22)23/h2-3,10,13-14,27H,4-9,11-12H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 398.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 164710342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).