5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione

C24H26N6O3 — CID 154836359

About 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione

5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154836359) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 154836359
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3CC3(C)NC(=O)NC3=O)c12
• InChI: InChI=1S/C24H26N6O3/c1-14-19-17(12-18(15-8-5-4-6-9-15)25-20(19)29(3)28-14)21(31)30-11-7-10-16(30)13-24(2)22(32)26-23(33)27-24/h4-6,8-9,12,16H,7,10-11,13H2,1-3H3,(H2,26,27,32,33)
• InChIKey: HGPPYJKDZGPVBC-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 154836359) is 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3CC3(C)NC(=O)NC3=O)c12.

What is the InChIKey of 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is HGPPYJKDZGPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-14-19-17(12-18(15-8-5-4-6-9-15)25-20(19)29(3)28-14)21(31)30-11-7-10-16(30)13-24(2)22(32)26-23(33)27-24/h4-6,8-9,12,16H,7,10-11,13H2,1-3H3,(H2,26,27,32,33).

What are the key properties of 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 446.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154836359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).