[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H32N2O4 — CID 164710079

IUPAC[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1ccc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc1OC
InChIInChI=1S/C22H32N2O4/c1-4-15-5-6-18(23-19(15)27-3)28-17-7-9-22(10-8-17)13-24(14-22)20(25)16-11-21(2,26)12-16/h5-6,16-17,26H,4,7-14H2,1-3H3
InChIKeyXIDUXBDFDYTKPL-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.96
Rot. Bonds5

About [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710079) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710079
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1ccc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc1OC
InChIInChI=1S/C22H32N2O4/c1-4-15-5-6-18(23-19(15)27-3)28-17-7-9-22(10-8-17)13-24(14-22)20(25)16-11-21(2,26)12-16/h5-6,16-17,26H,4,7-14H2,1-3H3
InChIKeyXIDUXBDFDYTKPL-UHFFFAOYSA-N
XLogP2.96
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-[(5-ethyl-6-methoxy-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-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710079) is [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCc1ccc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)nc1OC.
What is the InChIKey of [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is XIDUXBDFDYTKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-4-15-5-6-18(23-19(15)27-3)28-17-7-9-22(10-8-17)13-24(14-22)20(25)16-11-21(2,26)12-16/h5-6,16-17,26H,4,7-14H2,1-3H3.
What are the key properties of [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 388.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).