4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C17H22N4O2 — CID 131640636

IUPAC4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CN(Cc4ccoc4)CCO3)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-17(14-21(6-1)16-10-18-4-5-19-16)13-20(7-9-23-17)11-15-2-8-22-12-15/h2,4-5,8,10,12H,1,3,6-7,9,11,13-14H2
InChIKeyIFJAJLDIICLCSO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.94
Rot. Bonds3

About 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131640636) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID131640636
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CN(Cc4ccoc4)CCO3)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-17(14-21(6-1)16-10-18-4-5-19-16)13-20(7-9-23-17)11-15-2-8-22-12-15/h2,4-5,8,10,12H,1,3,6-7,9,11,13-14H2
InChIKeyIFJAJLDIICLCSO-UHFFFAOYSA-N
XLogP1.94
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane 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 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131640636) is 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is c1cnc(N2CCCC3(CN(Cc4ccoc4)CCO3)C2)cn1.
What is the InChIKey of 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is IFJAJLDIICLCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-17(14-21(6-1)16-10-18-4-5-19-16)13-20(7-9-23-17)11-15-2-8-22-12-15/h2,4-5,8,10,12H,1,3,6-7,9,11,13-14H2.
What are the key properties of 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 314.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131640636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).