2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane

C20H28N4O — CID 56751770

IUPAC2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCNC3)C2)cc1Cn1cccn1
InChIInChI=1S/C20H28N4O/c1-25-19-5-4-17(12-18(19)14-24-10-3-9-22-24)13-23-11-7-20(16-23)6-2-8-21-15-20/h3-5,9-10,12,21H,2,6-8,11,13-16H2,1H3
InChIKeyOALXFWOCSVTOOU-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.52
Rot. Bonds5

About 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane

2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 56751770) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
PubChem CID56751770
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCNC3)C2)cc1Cn1cccn1
InChIInChI=1S/C20H28N4O/c1-25-19-5-4-17(12-18(19)14-24-10-3-9-22-24)13-23-11-7-20(16-23)6-2-8-21-15-20/h3-5,9-10,12,21H,2,6-8,11,13-16H2,1H3
InChIKeyOALXFWOCSVTOOU-UHFFFAOYSA-N
XLogP2.52
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane 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 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (CID 56751770) is 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane is COc1ccc(CN2CCC3(CCCNC3)C2)cc1Cn1cccn1.
What is the InChIKey of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is OALXFWOCSVTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-25-19-5-4-17(12-18(19)14-24-10-3-9-22-24)13-23-11-7-20(16-23)6-2-8-21-15-20/h3-5,9-10,12,21H,2,6-8,11,13-16H2,1H3.
What are the key properties of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 340.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).