ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H18N4O3 — CID 169120675

IUPACethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCOC4(CC4)C3)nc12
InChIInChI=1S/C15H18N4O3/c1-2-21-14(20)11-9-16-19-6-3-12(17-13(11)19)18-7-8-22-15(10-18)4-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyROIUADQWQMJADE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.28
Rot. Bonds3

About ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 169120675) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID169120675
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCOC4(CC4)C3)nc12
InChIInChI=1S/C15H18N4O3/c1-2-21-14(20)11-9-16-19-6-3-12(17-13(11)19)18-7-8-22-15(10-18)4-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyROIUADQWQMJADE-UHFFFAOYSA-N
XLogP1.28
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 169120675) is ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCOC4(CC4)C3)nc12.
What is the InChIKey of ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ROIUADQWQMJADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-21-14(20)11-9-16-19-6-3-12(17-13(11)19)18-7-8-22-15(10-18)4-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3.
What are the key properties of ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 169120675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).