ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate

C9H9N3O2 — CID 97291810

IUPACethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-7-8(10-4-6)5-11-12-7/h4-5H,2-3H2,1H3
InChIKeyKEHPUVLJROEVNI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.72
Rot. Bonds2

About ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate

ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 97291810) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID97291810
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-7-8(10-4-6)5-11-12-7/h4-5H,2-3H2,1H3
InChIKeyKEHPUVLJROEVNI-UHFFFAOYSA-N
XLogP0.72
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (CID 97291810) is ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is CCOC(=O)C1=CN=C2C=NN=C2C1.
What is the InChIKey of ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is KEHPUVLJROEVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-7-8(10-4-6)5-11-12-7/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 97291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).