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

C17H12N6O2 — CID 90109599

IUPAC5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C17H12N6O2/c1-22-14-3-2-10(6-11(14)8-19-22)13-7-15(24)23-16(21-13)12(9-20-23)17-18-4-5-25-17/h2-9,20H,1H3
InChIKeyOIMPNJRPHJSIMA-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.23
Rot. Bonds2

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

5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90109599) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90109599
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C17H12N6O2/c1-22-14-3-2-10(6-11(14)8-19-22)13-7-15(24)23-16(21-13)12(9-20-23)17-18-4-5-25-17/h2-9,20H,1H3
InChIKeyOIMPNJRPHJSIMA-UHFFFAOYSA-N
XLogP2.23
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90109599) is 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21.
What is the InChIKey of 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OIMPNJRPHJSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c1-22-14-3-2-10(6-11(14)8-19-22)13-7-15(24)23-16(21-13)12(9-20-23)17-18-4-5-25-17/h2-9,20H,1H3.
What are the key properties of 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90109599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).