6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H25N7O5 — CID 90264238

About 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90264238) has the molecular formula C23H25N7O5 and a molecular weight of 479.50 g/mol. Its IUPAC name is 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 90264238
• Molecular Formula: C23H25N7O5
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.19
• IUPAC Name: 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2ncc(=O)n(CCCNC[C@@H]3CC(=O)N(c4ccc5c(n4)NC(=O)CO5)C3)c2n1
• InChI: InChI=1S/C23H25N7O5/c1-34-19-6-3-15-23(28-19)29(21(33)11-25-15)8-2-7-24-10-14-9-20(32)30(12-14)17-5-4-16-22(26-17)27-18(31)13-35-16/h3-6,11,14,24H,2,7-10,12-13H2,1H3,(H,26,27,31)/t14-/m0/s1
• InChIKey: JLBWDFBXXYZRTO-AWEZNQCLSA-N
• XLogP: 0.56
• TPSA: 140.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 90264238) is 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(=O)n(CCCNC[C@@H]3CC(=O)N(c4ccc5c(n4)NC(=O)CO5)C3)c2n1.

What is the InChIKey of 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is JLBWDFBXXYZRTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25N7O5/c1-34-19-6-3-15-23(28-19)29(21(33)11-25-15)8-2-7-24-10-14-9-20(32)30(12-14)17-5-4-16-22(26-17)27-18(31)13-35-16/h3-6,11,14,24H,2,7-10,12-13H2,1H3,(H,26,27,31)/t14-/m0/s1.

What are the key properties of 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 479.50 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90264238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).