2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one

C8H9N3O2 — CID 137277707

IUPAC2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H9N3O2/c1-2-13-11-5-6-7(10-11)3-4-9-8(6)12/h3-5H,2H2,1H3,(H,9,12)
InChIKeyNBINLKSKKDLYGG-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.17
Rot. Bonds2

About 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one

2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137277707) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137277707
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H9N3O2/c1-2-13-11-5-6-7(10-11)3-4-9-8(6)12/h3-5H,2H2,1H3,(H,9,12)
InChIKeyNBINLKSKKDLYGG-UHFFFAOYSA-N
XLogP0.17
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137277707) is 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one is CCOn1cc2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is NBINLKSKKDLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-13-11-5-6-7(10-11)3-4-9-8(6)12/h3-5H,2H2,1H3,(H,9,12).
What are the key properties of 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 179.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137277707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).