2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane

C16H22N4O — CID 56703062

IUPAC2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESc1cc(-c2ccc(CN3CCC4(CCNCC4)C3)o2)[nH]n1
InChIInChI=1S/C16H22N4O/c1-2-15(14-3-7-18-19-14)21-13(1)11-20-10-6-16(12-20)4-8-17-9-5-16/h1-3,7,17H,4-6,8-12H2,(H,18,19)
InChIKeyPAGJNAOKOHHZPP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.25
Rot. Bonds3

About 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane

2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56703062) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56703062
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESc1cc(-c2ccc(CN3CCC4(CCNCC4)C3)o2)[nH]n1
InChIInChI=1S/C16H22N4O/c1-2-15(14-3-7-18-19-14)21-13(1)11-20-10-6-16(12-20)4-8-17-9-5-16/h1-3,7,17H,4-6,8-12H2,(H,18,19)
InChIKeyPAGJNAOKOHHZPP-UHFFFAOYSA-N
XLogP2.25
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane (CID 56703062) is 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane is c1cc(-c2ccc(CN3CCC4(CCNCC4)C3)o2)[nH]n1.
What is the InChIKey of 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is PAGJNAOKOHHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-15(14-3-7-18-19-14)21-13(1)11-20-10-6-16(12-20)4-8-17-9-5-16/h1-3,7,17H,4-6,8-12H2,(H,18,19).
What are the key properties of 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 286.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56703062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).