furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone

C16H18N4O2 — CID 97472730

IUPACfuran-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H18N4O2/c1-12-6-17-15(18-7-12)20-10-16(11-20)3-4-19(9-16)14(21)13-2-5-22-8-13/h2,5-8H,3-4,9-11H2,1H3
InChIKeyKTUNBQMIOJASNS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.73
Rot. Bonds2

About furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone

furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone (PubChem CID 97472730) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
PubChem CID97472730
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namefuran-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H18N4O2/c1-12-6-17-15(18-7-12)20-10-16(11-20)3-4-19(9-16)14(21)13-2-5-22-8-13/h2,5-8H,3-4,9-11H2,1H3
InChIKeyKTUNBQMIOJASNS-UHFFFAOYSA-N
XLogP1.73
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-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 furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The IUPAC name of furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone (CID 97472730) is furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone.
What is the SMILES notation for furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The canonical SMILES for furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone is Cc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1.
What is the InChIKey of furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The InChIKey is KTUNBQMIOJASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-6-17-15(18-7-12)20-10-16(11-20)3-4-19(9-16)14(21)13-2-5-22-8-13/h2,5-8H,3-4,9-11H2,1H3.
What are the key properties of furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone is sourced from PubChem (CID 97472730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).