2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H16ClFN2O2 — CID 129165535

IUPAC2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1c(F)n2c(cc1=O)CN(Cc1ccccc1Cl)CC2
InChIInChI=1S/C16H16ClFN2O2/c1-22-15-14(21)8-12-10-19(6-7-20(12)16(15)18)9-11-4-2-3-5-13(11)17/h2-5,8H,6-7,9-10H2,1H3
InChIKeyCTTWIBPSOGWMNW-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165535) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165535
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1c(F)n2c(cc1=O)CN(Cc1ccccc1Cl)CC2
InChIInChI=1S/C16H16ClFN2O2/c1-22-15-14(21)8-12-10-19(6-7-20(12)16(15)18)9-11-4-2-3-5-13(11)17/h2-5,8H,6-7,9-10H2,1H3
InChIKeyCTTWIBPSOGWMNW-UHFFFAOYSA-N
XLogP2.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165535) is 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is COc1c(F)n2c(cc1=O)CN(Cc1ccccc1Cl)CC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is CTTWIBPSOGWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-15-14(21)8-12-10-19(6-7-20(12)16(15)18)9-11-4-2-3-5-13(11)17/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 322.77 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).