2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone

C9H10N4O — CID 84662548

IUPAC2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
SMILESCNCC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C9H10N4O/c1-10-5-7(14)8-6-3-2-4-11-9(6)13-12-8/h2-4,10H,5H2,1H3,(H,11,12,13)
InChIKeyHEYNJRZHIBOBBC-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.36
Rot. Bonds3

About 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone

2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone (PubChem CID 84662548) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
PubChem CID84662548
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
SMILESCNCC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C9H10N4O/c1-10-5-7(14)8-6-3-2-4-11-9(6)13-12-8/h2-4,10H,5H2,1H3,(H,11,12,13)
InChIKeyHEYNJRZHIBOBBC-UHFFFAOYSA-N
XLogP0.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone (CID 84662548) is 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone is CNCC(=O)c1[nH]nc2ncccc12.
What is the InChIKey of 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The InChIKey is HEYNJRZHIBOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-10-5-7(14)8-6-3-2-4-11-9(6)13-12-8/h2-4,10H,5H2,1H3,(H,11,12,13).
What are the key properties of 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone has a molecular weight of 190.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 84662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).