1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

C16H20N6O2 — CID 167903719

About 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 167903719) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 167903719
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1[nH]nc2ncc(NC(=O)C3CC(=O)N(C4CN(C)C4)C3)cc12
• InChI: InChI=1S/C16H20N6O2/c1-9-13-4-11(5-17-15(13)20-19-9)18-16(24)10-3-14(23)22(6-10)12-7-21(2)8-12/h4-5,10,12H,3,6-8H2,1-2H3,(H,18,24)(H,17,19,20)
• InChIKey: AXAWRPJDONOUOF-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 167903719) is 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1[nH]nc2ncc(NC(=O)C3CC(=O)N(C4CN(C)C4)C3)cc12.

What is the InChIKey of 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is AXAWRPJDONOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9-13-4-11(5-17-15(13)20-19-9)18-16(24)10-3-14(23)22(6-10)12-7-21(2)8-12/h4-5,10,12H,3,6-8H2,1-2H3,(H,18,24)(H,17,19,20).

What are the key properties of 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?

1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167903719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).