tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate

C12H15N3O2 — CID 70817224

IUPACtert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
SMILESCC(C)(C)OC(=O)Cn1ncc2ncccc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)8-15-10-5-4-6-13-9(10)7-14-15/h4-7H,8H2,1-3H3
InChIKeyFEEMAINVNLXMHE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate

tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate (PubChem CID 70817224) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
PubChem CID70817224
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nametert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
SMILESCC(C)(C)OC(=O)Cn1ncc2ncccc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)8-15-10-5-4-6-13-9(10)7-14-15/h4-7H,8H2,1-3H3
InChIKeyFEEMAINVNLXMHE-UHFFFAOYSA-N
XLogP1.77
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate?
The IUPAC name of tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate (CID 70817224) is tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate.
What is the SMILES notation for tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate?
The canonical SMILES for tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate is CC(C)(C)OC(=O)Cn1ncc2ncccc21.
What is the InChIKey of tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate?
The InChIKey is FEEMAINVNLXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)8-15-10-5-4-6-13-9(10)7-14-15/h4-7H,8H2,1-3H3.
What are the key properties of tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate?
tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate has a molecular weight of 233.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate is sourced from PubChem (CID 70817224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).