N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide

C21H23FN6O3 — CID 54686303

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54686303) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 54686303
• Molecular Formula: C21H23FN6O3
• Molecular Weight: 426.45 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
• SMILES: CC1c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccnn1C
• InChI: InChI=1S/C21H23FN6O3/c1-13-19-25-17(20(30)23-11-14-3-5-15(22)6-4-14)18(29)21(31)28(19)10-9-27(13)12-16-7-8-24-26(16)2/h3-8,13,29H,9-12H2,1-2H3,(H,23,30)
• InChIKey: YWMJFHAECPFOIA-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 105.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.45
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54686303) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide is CC1c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccnn1C.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is YWMJFHAECPFOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-13-19-25-17(20(30)23-11-14-3-5-15(22)6-4-14)18(29)21(31)28(19)10-9-27(13)12-16-7-8-24-26(16)2/h3-8,13,29H,9-12H2,1-2H3,(H,23,30).

What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).