(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone

C21H24N4O — CID 118879521

About (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 118879521) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone
• PubChem CID: 118879521
• Molecular Formula: C21H24N4O
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.20
• IUPAC Name: (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone
• SMILES: Cc1[nH]nc2ncc(C(=O)N3CCCC3c3ccc(C(C)C)cc3)cc12
• InChI: InChI=1S/C21H24N4O/c1-13(2)15-6-8-16(9-7-15)19-5-4-10-25(19)21(26)17-11-18-14(3)23-24-20(18)22-12-17/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,22,23,24)
• InChIKey: OEWYVAXIZMAIEM-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone?

The IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone (CID 118879521) is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone is Cc1[nH]nc2ncc(C(=O)N3CCCC3c3ccc(C(C)C)cc3)cc12.

What is the InChIKey of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone?

The InChIKey is OEWYVAXIZMAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)15-6-8-16(9-7-15)19-5-4-10-25(19)21(26)17-11-18-14(3)23-24-20(18)22-12-17/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,22,23,24).

What are the key properties of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone?

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118879521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).