2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone

C15H18N4O2 — CID 154787258

IUPAC2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2ncccn2n1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C15H18N4O2/c20-14(12-9-13-16-5-2-7-19(13)17-12)18-6-1-3-15(10-18)4-8-21-11-15/h2,5,7,9H,1,3-4,6,8,10-11H2
InChIKeyQKPPTYLEGGVNGA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.37
Rot. Bonds1

About 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone

2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 154787258) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID154787258
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2ncccn2n1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C15H18N4O2/c20-14(12-9-13-16-5-2-7-19(13)17-12)18-6-1-3-15(10-18)4-8-21-11-15/h2,5,7,9H,1,3-4,6,8,10-11H2
InChIKeyQKPPTYLEGGVNGA-UHFFFAOYSA-N
XLogP1.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 154787258) is 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1cc2ncccn2n1)N1CCCC2(CCOC2)C1.
What is the InChIKey of 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is QKPPTYLEGGVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(12-9-13-16-5-2-7-19(13)17-12)18-6-1-3-15(10-18)4-8-21-11-15/h2,5,7,9H,1,3-4,6,8,10-11H2.
What are the key properties of 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone?
2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 154787258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).