[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione

C32H29ClN8O5 — CID 66769360

About [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione (PubChem CID 66769360) has the molecular formula C32H29ClN8O5 and a molecular weight of 641.09 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione
• PubChem CID: 66769360
• Molecular Formula: C32H29ClN8O5
• Molecular Weight: 641.09 g/mol
• Exact Mass: 640.19
• IUPAC Name: [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione
• SMILES: CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1
• InChI: InChI=1S/C17H17ClN6O3.C15H12N2O2/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12;18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-5,10,16H,6-9H2,1H3;1-10H,(H2,16,17,18,19)
• InChIKey: ZHTXZLXTKRFWEH-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 149.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.09
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione?

The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione (CID 66769360) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione.

What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione?

The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione is CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1.

What is the InChIKey of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione?

The InChIKey is ZHTXZLXTKRFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3.C15H12N2O2/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12;18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-5,10,16H,6-9H2,1H3;1-10H,(H2,16,17,18,19).

What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione?

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 641.09 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 66769360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).