2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

C28H26FN5O4 — CID 134796068

About 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 134796068) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 134796068
• Molecular Formula: C28H26FN5O4
• Molecular Weight: 515.55 g/mol
• Exact Mass: 515.20
• IUPAC Name: 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
• SMILES: COc1ccccc1Cn1c(=O)c(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2cccnc21
• InChI: InChI=1S/C28H26FN5O4/c1-38-23-7-3-2-5-20(23)18-34-26-22(6-4-12-30-26)31-25(28(34)37)27(36)33-15-13-32(14-16-33)24(35)17-19-8-10-21(29)11-9-19/h2-12H,13-18H2,1H3
• InChIKey: CCKMOZRSDQWWJZ-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 97.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.55
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (CID 134796068) is 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is COc1ccccc1Cn1c(=O)c(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2cccnc21.

What is the InChIKey of 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?

The InChIKey is CCKMOZRSDQWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c1-38-23-7-3-2-5-20(23)18-34-26-22(6-4-12-30-26)31-25(28(34)37)27(36)33-15-13-32(14-16-33)24(35)17-19-8-10-21(29)11-9-19/h2-12H,13-18H2,1H3.

What are the key properties of 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?

2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 515.55 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134796068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).