(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C17H22N4O2 — CID 72908903

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC4(CCOC4)C3)cc2n1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)21-15(18-12)9-14(19-21)16(22)20-6-3-4-17(10-20)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3
InChIKeyIVUOZXXUSKNYOR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds1

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 72908903) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID72908903
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC4(CCOC4)C3)cc2n1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)21-15(18-12)9-14(19-21)16(22)20-6-3-4-17(10-20)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3
InChIKeyIVUOZXXUSKNYOR-UHFFFAOYSA-N
XLogP1.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 72908903) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCCC4(CCOC4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is IVUOZXXUSKNYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-13(2)21-15(18-12)9-14(19-21)16(22)20-6-3-4-17(10-20)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 72908903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).