2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C20H15ClFN3O3 — CID 54683279

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15ClFN3O3/c21-14-9-12(4-5-15(14)22)10-25-8-7-24-11-13(16-3-1-2-6-23-16)18(26)19(27)17(24)20(25)28/h1-6,9,11,27H,7-8,10H2
InChIKeyCBASOSBFTSMIBH-UHFFFAOYSA-N
MW399.81 g/mol
LogP3.06
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683279) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683279
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15ClFN3O3/c21-14-9-12(4-5-15(14)22)10-25-8-7-24-11-13(16-3-1-2-6-23-16)18(26)19(27)17(24)20(25)28/h1-6,9,11,27H,7-8,10H2
InChIKeyCBASOSBFTSMIBH-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683279) is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is CBASOSBFTSMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c21-14-9-12(4-5-15(14)22)10-25-8-7-24-11-13(16-3-1-2-6-23-16)18(26)19(27)17(24)20(25)28/h1-6,9,11,27H,7-8,10H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 399.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).