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

C10H11N3O2 — CID 162368582

IUPACpropyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCCOC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C10H11N3O2/c1-2-3-15-10(14)7-4-8-9(11-5-7)6-12-13-8/h5-6H,2-4H2,1H3
InChIKeyREGDYPRECPAMGN-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.11
Rot. Bonds3

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

propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 162368582) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namepropyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID162368582
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namepropyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCCOC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C10H11N3O2/c1-2-3-15-10(14)7-4-8-9(11-5-7)6-12-13-8/h5-6H,2-4H2,1H3
InChIKeyREGDYPRECPAMGN-UHFFFAOYSA-N
XLogP1.11
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (CID 162368582) is propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is CCCOC(=O)C1=CN=C2C=NN=C2C1.
What is the InChIKey of propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is REGDYPRECPAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-3-15-10(14)7-4-8-9(11-5-7)6-12-13-8/h5-6H,2-4H2,1H3.
What are the key properties of propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 162368582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).