5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione

C24H25N7O3 — CID 137161349

About 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione

5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 137161349) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 137161349
• Molecular Formula: C24H25N7O3
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.20
• IUPAC Name: 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)C(=Cc2cnc3c(NC4CC4)nc(-c4cccc(CN5CCOCC5)c4)cn23)N1
• InChI: InChI=1S/C24H25N7O3/c32-23-19(28-24(33)29-23)11-18-12-25-22-21(26-17-4-5-17)27-20(14-31(18)22)16-3-1-2-15(10-16)13-30-6-8-34-9-7-30/h1-3,10-12,14,17H,4-9,13H2,(H,26,27)(H2,28,29,32,33)
• InChIKey: XAOCMDKIMLJEMO-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 112.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione (CID 137161349) is 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione?

The canonical SMILES for 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cnc3c(NC4CC4)nc(-c4cccc(CN5CCOCC5)c4)cn23)N1.

What is the InChIKey of 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione?

The InChIKey is XAOCMDKIMLJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c32-23-19(28-24(33)29-23)11-18-12-25-22-21(26-17-4-5-17)27-20(14-31(18)22)16-3-1-2-15(10-16)13-30-6-8-34-9-7-30/h1-3,10-12,14,17H,4-9,13H2,(H,26,27)(H2,28,29,32,33).

What are the key properties of 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione?

5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 459.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[8-(cyclopropylamino)-6-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 137161349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).