[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H29F3N2O3 — CID 164710100

IUPAC[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1cc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc(C)c1C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-13-8-17(26-14(2)18(13)22(23,24)25)30-16-4-6-21(7-5-16)11-27(12-21)19(28)15-9-20(3,29)10-15/h8,15-16,29H,4-7,9-12H2,1-3H3
InChIKeyIBJBMLXVWUVBIH-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.03
Rot. Bonds3

About [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710100) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710100
Molecular FormulaC22H29F3N2O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1cc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc(C)c1C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-13-8-17(26-14(2)18(13)22(23,24)25)30-16-4-6-21(7-5-16)11-27(12-21)19(28)15-9-20(3,29)10-15/h8,15-16,29H,4-7,9-12H2,1-3H3
InChIKeyIBJBMLXVWUVBIH-UHFFFAOYSA-N
XLogP4.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)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 [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710100) is [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is Cc1cc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc(C)c1C(F)(F)F.
What is the InChIKey of [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is IBJBMLXVWUVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c1-13-8-17(26-14(2)18(13)22(23,24)25)30-16-4-6-21(7-5-16)11-27(12-21)19(28)15-9-20(3,29)10-15/h8,15-16,29H,4-7,9-12H2,1-3H3.
What are the key properties of [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 426.48 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[4,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).