(2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile

C18H21N5O2 — CID 98273173

About (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile

(2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 98273173) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

• Compound Name: (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
• PubChem CID: 98273173
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)C(=O)N1CCCC1
• InChI: InChI=1S/C18H21N5O2/c1-11(2)23-17-13(10-20-23)8-14(12(3)21-17)16(24)15(9-19)18(25)22-6-4-5-7-22/h8,10-11,15H,4-7H2,1-3H3/t15-/m1/s1
• InChIKey: VZWYOZGSELFVFX-OAHLLOKOSA-N
• XLogP: 2.27
• TPSA: 91.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?

The IUPAC name of (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CID 98273173) is (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

What is the SMILES notation for (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?

The canonical SMILES for (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)C(=O)N1CCCC1.

What is the InChIKey of (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?

The InChIKey is VZWYOZGSELFVFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)23-17-13(10-20-23)8-14(12(3)21-17)16(24)15(9-19)18(25)22-6-4-5-7-22/h8,10-11,15H,4-7H2,1-3H3/t15-/m1/s1.

What are the key properties of (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?

(2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 339.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 98273173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).