1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide

C27H26FN5O2 — CID 50781368

About 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide (PubChem CID 50781368) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
• PubChem CID: 50781368
• Molecular Formula: C27H26FN5O2
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.21
• IUPAC Name: 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1F
• InChI: InChI=1S/C27H26FN5O2/c1-18-11-12-21(15-22(18)28)30-26(34)20-9-6-14-32(17-20)25-27(35)33(16-19-7-3-2-4-8-19)24-23(31-25)10-5-13-29-24/h2-5,7-8,10-13,15,20H,6,9,14,16-17H2,1H3,(H,30,34)
• InChIKey: WULWQFVOEPEAQZ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide (CID 50781368) is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1F.

What is the InChIKey of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?

The InChIKey is WULWQFVOEPEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-18-11-12-21(15-22(18)28)30-26(34)20-9-6-14-32(17-20)25-27(35)33(16-19-7-3-2-4-8-19)24-23(31-25)10-5-13-29-24/h2-5,7-8,10-13,15,20H,6,9,14,16-17H2,1H3,(H,30,34).

What are the key properties of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50781368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).