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

C24H18N6O2 — CID 90112043

IUPAC5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncc(-c6ccccc6)o5)c4n3)ccc21
InChIInChI=1S/C24H18N6O2/c1-2-29-20-9-8-16(10-17(20)12-26-29)19-11-22(31)30-23(28-19)18(13-27-30)24-25-14-21(32-24)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3
InChIKeyVTYOVJVSCBPTBJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.38
Rot. Bonds4

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

5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90112043) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90112043
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncc(-c6ccccc6)o5)c4n3)ccc21
InChIInChI=1S/C24H18N6O2/c1-2-29-20-9-8-16(10-17(20)12-26-29)19-11-22(31)30-23(28-19)18(13-27-30)24-25-14-21(32-24)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3
InChIKeyVTYOVJVSCBPTBJ-UHFFFAOYSA-N
XLogP4.38
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-ethyl-1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 73603939
5-(1-ethyl-1H-indazol-6-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 74220618
5-(1H-indazol-5-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90108973
5-(1-ethyl-1H-indazol-5-yl)-3-(4-ethyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90109456
5-(1-ethyl-1H-indazol-5-yl)-2-methyl-3-(oxazol-2-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90109494
5-(1-methyl-1H-indazol-5-yl)-3-(1,3-oxazol-2-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90109599
5-(1-ethyl-1H-indazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90109776
5-(1-ethyl-3-methyl-1H-indazol-5-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90109877
5-(1-ethyl-1H-indazol-5-yl)-3-(1,3-oxazol-2-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90110771
5-(1-ethyl-1H-indazol-5-yl)-3-(5-ethyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90111238
3-(benzo[d]oxazol-2-yl)-5-(1-ethyl-1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90111435
5-(1-methyl-1H-indazol-5-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90111479

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90112043) is 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncc(-c6ccccc6)o5)c4n3)ccc21.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VTYOVJVSCBPTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-2-29-20-9-8-16(10-17(20)12-26-29)19-11-22(31)30-23(28-19)18(13-27-30)24-25-14-21(32-24)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3.
What are the key properties of 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 422.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90112043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).