5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H18N6O2 — CID 90109456

IUPAC5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5c(cnn5CC)c4)nc23)n1
InChIInChI=1S/C20H18N6O2/c1-3-14-11-28-20(23-14)15-10-22-26-18(27)8-16(24-19(15)26)12-5-6-17-13(7-12)9-21-25(17)4-2/h5-11,22H,3-4H2,1-2H3
InChIKeyIKWZMONMIINZKC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.28
Rot. Bonds4

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

5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90109456) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90109456
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5c(cnn5CC)c4)nc23)n1
InChIInChI=1S/C20H18N6O2/c1-3-14-11-28-20(23-14)15-10-22-26-18(27)8-16(24-19(15)26)12-5-6-17-13(7-12)9-21-25(17)4-2/h5-11,22H,3-4H2,1-2H3
InChIKeyIKWZMONMIINZKC-UHFFFAOYSA-N
XLogP3.28
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90109456) is 5-(1-ethylindazol-5-yl)-3-(4-ethyl-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-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5c(cnn5CC)c4)nc23)n1.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IKWZMONMIINZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-3-14-11-28-20(23-14)15-10-22-26-18(27)8-16(24-19(15)26)12-5-6-17-13(7-12)9-21-25(17)4-2/h5-11,22H,3-4H2,1-2H3.
What are the key properties of 5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-3-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.40 g/mol, XLogP of 3.28, 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-(4-ethyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90109456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).