5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one

C10H11N3O2 — CID 135577502

IUPAC5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(C)=O)c[nH]c21
InChIInChI=1S/C10H11N3O2/c1-3-13-10-8(5-12-13)9(15)7(4-11-10)6(2)14/h4-5H,3H2,1-2H3,(H,11,15)
InChIKeyYAKIOQREGCHZQU-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.95
Rot. Bonds2

About 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one

5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135577502) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135577502
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(C)=O)c[nH]c21
InChIInChI=1S/C10H11N3O2/c1-3-13-10-8(5-12-13)9(15)7(4-11-10)6(2)14/h4-5H,3H2,1-2H3,(H,11,15)
InChIKeyYAKIOQREGCHZQU-UHFFFAOYSA-N
XLogP0.95
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135577502) is 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1ncc2c(=O)c(C(C)=O)c[nH]c21.
What is the InChIKey of 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is YAKIOQREGCHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-13-10-8(5-12-13)9(15)7(4-11-10)6(2)14/h4-5H,3H2,1-2H3,(H,11,15).
What are the key properties of 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135577502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).