5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N6O2 — CID 90109871

IUPAC5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2ccc(-c3cc(=O)n4[nH]c(-c5ncco5)cc4n3)cc21
InChIInChI=1S/C18H14N6O2/c1-2-23-15-7-11(3-4-12(15)10-20-23)13-9-17(25)24-16(21-13)8-14(22-24)18-19-5-6-26-18/h3-10,22H,2H2,1H3
InChIKeyUMJKPIXQWZFAGV-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.71
Rot. Bonds3

About 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90109871) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90109871
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2ccc(-c3cc(=O)n4[nH]c(-c5ncco5)cc4n3)cc21
InChIInChI=1S/C18H14N6O2/c1-2-23-15-7-11(3-4-12(15)10-20-23)13-9-17(25)24-16(21-13)8-14(22-24)18-19-5-6-26-18/h3-10,22H,2H2,1H3
InChIKeyUMJKPIXQWZFAGV-UHFFFAOYSA-N
XLogP2.71
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90109871) is 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2ccc(-c3cc(=O)n4[nH]c(-c5ncco5)cc4n3)cc21.
What is the InChIKey of 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UMJKPIXQWZFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-2-23-15-7-11(3-4-12(15)10-20-23)13-9-17(25)24-16(21-13)8-14(22-24)18-19-5-6-26-18/h3-10,22H,2H2,1H3.
What are the key properties of 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-6-yl)-2-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90109871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).