6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C29H28F2N8O3 — CID 144993865

About 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 144993865) has the molecular formula C29H28F2N8O3 and a molecular weight of 574.59 g/mol. Its IUPAC name is 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 144993865
• Molecular Formula: C29H28F2N8O3
• Molecular Weight: 574.59 g/mol
• Exact Mass: 574.23
• IUPAC Name: 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• SMILES: [H]/N=C(\c1ncc(F)c(NCc2cc(=O)c(OCc3ccccc3)c3n2CCN(C(C)C)C3=O)n1)c1cc(F)cnc1N
• InChI: InChI=1S/C29H28F2N8O3/c1-16(2)38-8-9-39-19(11-22(40)25(24(39)29(38)41)42-15-17-6-4-3-5-7-17)13-35-27-21(31)14-36-28(37-27)23(32)20-10-18(30)12-34-26(20)33/h3-7,10-12,14,16,32H,8-9,13,15H2,1-2H3,(H2,33,34)(H,35,36,37)/b32-23-
• InChIKey: CRXCOUJZBPCZDI-SJIPCVTESA-N
• XLogP: 3.37
• TPSA: 152.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.59
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 144993865) is 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is [H]/N=C(\c1ncc(F)c(NCc2cc(=O)c(OCc3ccccc3)c3n2CCN(C(C)C)C3=O)n1)c1cc(F)cnc1N.

What is the InChIKey of 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is CRXCOUJZBPCZDI-SJIPCVTESA-N. The full InChI is InChI=1S/C29H28F2N8O3/c1-16(2)38-8-9-39-19(11-22(40)25(24(39)29(38)41)42-15-17-6-4-3-5-7-17)13-35-27-21(31)14-36-28(37-27)23(32)20-10-18(30)12-34-26(20)33/h3-7,10-12,14,16,32H,8-9,13,15H2,1-2H3,(H2,33,34)(H,35,36,37)/b32-23-.

What are the key properties of 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 574.59 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 144993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).