5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H15N7O2 — CID 136509808

IUPAC5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2ccc(-c3cc(=O)n4[nH]cc(-c5nc(C)no5)c4n3)cc21
InChIInChI=1S/C18H15N7O2/c1-3-24-15-6-11(4-5-12(15)8-19-24)14-7-16(26)25-17(22-14)13(9-20-25)18-21-10(2)23-27-18/h4-9,20H,3H2,1-2H3
InChIKeyJCGOBGLZMODGBO-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.42
Rot. Bonds3

About 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 136509808) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID136509808
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2ccc(-c3cc(=O)n4[nH]cc(-c5nc(C)no5)c4n3)cc21
InChIInChI=1S/C18H15N7O2/c1-3-24-15-6-11(4-5-12(15)8-19-24)14-7-16(26)25-17(22-14)13(9-20-25)18-21-10(2)23-27-18/h4-9,20H,3H2,1-2H3
InChIKeyJCGOBGLZMODGBO-UHFFFAOYSA-N
XLogP2.42
TPSA106.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 136509808) is 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2ccc(-c3cc(=O)n4[nH]cc(-c5nc(C)no5)c4n3)cc21.
What is the InChIKey of 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JCGOBGLZMODGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-3-24-15-6-11(4-5-12(15)8-19-24)14-7-16(26)25-17(22-14)13(9-20-25)18-21-10(2)23-27-18/h4-9,20H,3H2,1-2H3.
What are the key properties of 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 361.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-6-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 136509808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).