1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

C13H16N4O — CID 166256644

IUPAC1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)C2)c2ncccc12
InChIInChI=1S/C13H16N4O/c1-9-6-16(7-9)12(18)8-17-13-11(10(2)15-17)4-3-5-14-13/h3-5,9H,6-8H2,1-2H3
InChIKeyUMBCCHUYTWSHHM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (PubChem CID 166256644) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
PubChem CID166256644
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)C2)c2ncccc12
InChIInChI=1S/C13H16N4O/c1-9-6-16(7-9)12(18)8-17-13-11(10(2)15-17)4-3-5-14-13/h3-5,9H,6-8H2,1-2H3
InChIKeyUMBCCHUYTWSHHM-UHFFFAOYSA-N
XLogP1.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (CID 166256644) is 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is Cc1nn(CC(=O)N2CC(C)C2)c2ncccc12.
What is the InChIKey of 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The InChIKey is UMBCCHUYTWSHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-16(7-9)12(18)8-17-13-11(10(2)15-17)4-3-5-14-13/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 166256644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).