3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane

C14H18N4O2 — CID 102930579

IUPAC3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc2nc(OC3COC4(CCNCC4)C3)ccn2n1
InChIInChI=1S/C14H18N4O2/c1-5-16-18-8-2-13(17-12(1)18)20-11-9-14(19-10-11)3-6-15-7-4-14/h1-2,5,8,11,15H,3-4,6-7,9-10H2
InChIKeyQWFRMIXIACNCHB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.02
Rot. Bonds2

About 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane

3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930579) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930579
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc2nc(OC3COC4(CCNCC4)C3)ccn2n1
InChIInChI=1S/C14H18N4O2/c1-5-16-18-8-2-13(17-12(1)18)20-11-9-14(19-10-11)3-6-15-7-4-14/h1-2,5,8,11,15H,3-4,6-7,9-10H2
InChIKeyQWFRMIXIACNCHB-UHFFFAOYSA-N
XLogP1.02
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
CID 118975178
N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
CID 102634509
4-Pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
CID 102729364
3-(2-Methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930447
3-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930513
3-[(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930588
5-(4-Methylpiperidin-3-yl)oxypyrazolo[1,5-a]pyrimidine
CID 102954631
2-Pyrazolo[1,5-a]pyrimidin-5-yloxycyclopentan-1-amine
CID 104286095
4-({Pyrazolo[1,5-a]pyrimidin-5-yloxy}methyl)piperidine
CID 113296851
5-(2-Piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine
CID 113296853
1-(Pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine
CID 113296854
(2-Pyrazolo[1,5-a]pyrimidin-5-yloxycyclopentyl)methanamine
CID 113296855

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 102930579) is 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane is c1cc2nc(OC3COC4(CCNCC4)C3)ccn2n1.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QWFRMIXIACNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-5-16-18-8-2-13(17-12(1)18)20-11-9-14(19-10-11)3-6-15-7-4-14/h1-2,5,8,11,15H,3-4,6-7,9-10H2.
What are the key properties of 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane?
3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 274.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).