7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane

C16H22N4S — CID 56748547

IUPAC7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane
SMILESc1cc(-c2ccc(CN3CCCC4(CCNC4)C3)s2)[nH]n1
InChIInChI=1S/C16H22N4S/c1-5-16(6-8-17-11-16)12-20(9-1)10-13-2-3-15(21-13)14-4-7-18-19-14/h2-4,7,17H,1,5-6,8-12H2,(H,18,19)
InChIKeyHUGDWGSPSMXGBU-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.71
Rot. Bonds3

About 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane

7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 56748547) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane
PubChem CID56748547
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane
SMILESc1cc(-c2ccc(CN3CCCC4(CCNC4)C3)s2)[nH]n1
InChIInChI=1S/C16H22N4S/c1-5-16(6-8-17-11-16)12-20(9-1)10-13-2-3-15(21-13)14-4-7-18-19-14/h2-4,7,17H,1,5-6,8-12H2,(H,18,19)
InChIKeyHUGDWGSPSMXGBU-UHFFFAOYSA-N
XLogP2.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane (CID 56748547) is 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane is c1cc(-c2ccc(CN3CCCC4(CCNC4)C3)s2)[nH]n1.
What is the InChIKey of 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is HUGDWGSPSMXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-5-16(6-8-17-11-16)12-20(9-1)10-13-2-3-15(21-13)14-4-7-18-19-14/h2-4,7,17H,1,5-6,8-12H2,(H,18,19).
What are the key properties of 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane?
7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 302.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56748547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).