3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine

C9H11N3 — CID 58431864

IUPAC3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine
SMILESCC(C)C1=NN=C2N=CC=CC21
InChIInChI=1S/C9H11N3/c1-6(2)8-7-4-3-5-10-9(7)12-11-8/h3-7H,1-2H3
InChIKeyMINDYXGURLLAHO-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.67
Rot. Bonds1

About 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine

3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine (PubChem CID 58431864) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine
PubChem CID58431864
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine
SMILESCC(C)C1=NN=C2N=CC=CC21
InChIInChI=1S/C9H11N3/c1-6(2)8-7-4-3-5-10-9(7)12-11-8/h3-7H,1-2H3
InChIKeyMINDYXGURLLAHO-UHFFFAOYSA-N
XLogP1.67
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine (CID 58431864) is 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine is CC(C)C1=NN=C2N=CC=CC21.
What is the InChIKey of 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine?
The InChIKey is MINDYXGURLLAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(2)8-7-4-3-5-10-9(7)12-11-8/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine?
3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine has a molecular weight of 161.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 58431864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).