5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H12N4O3 — CID 146599876

IUPAC5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(N3CC4(COC4)C3)ccn2n1
InChIInChI=1S/C12H12N4O3/c17-11(18)8-3-10-13-9(1-2-16(10)14-8)15-4-12(5-15)6-19-7-12/h1-3H,4-7H2,(H,17,18)
InChIKeyOUQKPSZBYNCQEM-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.26
Rot. Bonds2

About 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 146599876) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID146599876
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(N3CC4(COC4)C3)ccn2n1
InChIInChI=1S/C12H12N4O3/c17-11(18)8-3-10-13-9(1-2-16(10)14-8)15-4-12(5-15)6-19-7-12/h1-3H,4-7H2,(H,17,18)
InChIKeyOUQKPSZBYNCQEM-UHFFFAOYSA-N
XLogP0.26
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599734
5-(4,4-difluoro-2-oxo-3,3a,5,6,7,7a-hexahydrobenzimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599190
methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 172806493
6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
CID 118418710
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid
CID 115372957
2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid
CID 175443481
N-[4-(2-aminopyrazolo[1,5-a]pyrimidin-5-yl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 166285514
2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82566784
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-2-carboxylic acid
CID 86277757
2-acetamido-N-methyl-2-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]acetamide;ethane
CID 170758393

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 146599876) is 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(N3CC4(COC4)C3)ccn2n1.
What is the InChIKey of 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is OUQKPSZBYNCQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(18)8-3-10-13-9(1-2-16(10)14-8)15-4-12(5-15)6-19-7-12/h1-3H,4-7H2,(H,17,18).
What are the key properties of 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 146599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).