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

C25H25FN4O5 — CID 54698261

IUPAC8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1COCc1ccccc1
InChIInChI=1S/C25H25FN4O5/c1-16(31)29-11-12-30-23(20(29)15-35-14-18-5-3-2-4-6-18)28-21(22(32)25(30)34)24(33)27-13-17-7-9-19(26)10-8-17/h2-10,20,32H,11-15H2,1H3,(H,27,33)
InChIKeyKLZVTCQGXJXLRZ-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.14
Rot. Bonds7

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

8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54698261) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54698261
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1COCc1ccccc1
InChIInChI=1S/C25H25FN4O5/c1-16(31)29-11-12-30-23(20(29)15-35-14-18-5-3-2-4-6-18)28-21(22(32)25(30)34)24(33)27-13-17-7-9-19(26)10-8-17/h2-10,20,32H,11-15H2,1H3,(H,27,33)
InChIKeyKLZVTCQGXJXLRZ-UHFFFAOYSA-N
XLogP2.14
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54698261) is 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide is CC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1COCc1ccccc1.
What is the InChIKey of 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is KLZVTCQGXJXLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-16(31)29-11-12-30-23(20(29)15-35-14-18-5-3-2-4-6-18)28-21(22(32)25(30)34)24(33)27-13-17-7-9-19(26)10-8-17/h2-10,20,32H,11-15H2,1H3,(H,27,33).
What are the key properties of 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54698261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).