(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

C15H18N4O2 — CID 128558926

IUPAC(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESCc1nc2ccnn2cc1C(=O)N1CCOCC12CCC2
InChIInChI=1S/C15H18N4O2/c1-11-12(9-19-13(17-11)3-6-16-19)14(20)18-7-8-21-10-15(18)4-2-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyQMKHECJJVIVYPD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.43
Rot. Bonds1

About (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (PubChem CID 128558926) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
PubChem CID128558926
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESCc1nc2ccnn2cc1C(=O)N1CCOCC12CCC2
InChIInChI=1S/C15H18N4O2/c1-11-12(9-19-13(17-11)3-6-16-19)14(20)18-7-8-21-10-15(18)4-2-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyQMKHECJJVIVYPD-UHFFFAOYSA-N
XLogP1.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (CID 128558926) is (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.
What is the SMILES notation for (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The canonical SMILES for (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is Cc1nc2ccnn2cc1C(=O)N1CCOCC12CCC2.
What is the InChIKey of (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The InChIKey is QMKHECJJVIVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-12(9-19-13(17-11)3-6-16-19)14(20)18-7-8-21-10-15(18)4-2-5-15/h3,6,9H,2,4-5,7-8,10H2,1H3.
What are the key properties of (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is sourced from PubChem (CID 128558926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).