9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane

C17H24N4O — CID 70719372

IUPAC9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(N2CCOC3(CCCC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H24N4O/c1-12-10-15(21-16(18-12)13(2)14(3)19-21)20-8-9-22-17(11-20)6-4-5-7-17/h10H,4-9,11H2,1-3H3
InChIKeyGATTUDLZWRRFNZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.80
Rot. Bonds1

About 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane

9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 70719372) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID70719372
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(N2CCOC3(CCCC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H24N4O/c1-12-10-15(21-16(18-12)13(2)14(3)19-21)20-8-9-22-17(11-20)6-4-5-7-17/h10H,4-9,11H2,1-3H3
InChIKeyGATTUDLZWRRFNZ-UHFFFAOYSA-N
XLogP2.80
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane (CID 70719372) is 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane is Cc1cc(N2CCOC3(CCCC3)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is GATTUDLZWRRFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-10-15(21-16(18-12)13(2)14(3)19-21)20-8-9-22-17(11-20)6-4-5-7-17/h10H,4-9,11H2,1-3H3.
What are the key properties of 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 300.41 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 70719372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).