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

C11H13N3O2 — CID 162368596

IUPACtert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)7-4-8-9(12-5-7)6-13-14-8/h5-6H,4H2,1-3H3
InChIKeyFBWHHZQVUUGHNM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.50
Rot. Bonds1

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

tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 162368596) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID162368596
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nametert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)C1=CN=C2C=NN=C2C1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)7-4-8-9(12-5-7)6-13-14-8/h5-6H,4H2,1-3H3
InChIKeyFBWHHZQVUUGHNM-UHFFFAOYSA-N
XLogP1.50
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate (CID 162368596) is tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is CC(C)(C)OC(=O)C1=CN=C2C=NN=C2C1.
What is the InChIKey of tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is FBWHHZQVUUGHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)7-4-8-9(12-5-7)6-13-14-8/h5-6H,4H2,1-3H3.
What are the key properties of tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate?
tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 162368596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).