2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione

C22H19ClN4O4 — CID 139486485

IUPAC2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1ccc(=O)n2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c12
InChIInChI=1S/C22H19ClN4O4/c1-13-2-7-19(28)27-9-8-26(22(29)20(13)27)11-18-24-21(25-31-18)15-10-17(30-12-15)14-3-5-16(23)6-4-14/h2-9,15,17H,10-12H2,1H3/t15-,17+/m0/s1
InChIKeyABYAAFDXQRWTJE-DOTOQJQBSA-N
MW438.87 g/mol
LogP3.10
Rot. Bonds4

About 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione

2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 139486485) has the molecular formula C22H19ClN4O4 and a molecular weight of 438.87 g/mol. Its IUPAC name is 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione
PubChem CID139486485
Molecular FormulaC22H19ClN4O4
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC Name2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1ccc(=O)n2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c12
InChIInChI=1S/C22H19ClN4O4/c1-13-2-7-19(28)27-9-8-26(22(29)20(13)27)11-18-24-21(25-31-18)15-10-17(30-12-15)14-3-5-16(23)6-4-14/h2-9,15,17H,10-12H2,1H3/t15-,17+/m0/s1
InChIKeyABYAAFDXQRWTJE-DOTOQJQBSA-N
XLogP3.10
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione (CID 139486485) is 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione is Cc1ccc(=O)n2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c12.
What is the InChIKey of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ABYAAFDXQRWTJE-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H19ClN4O4/c1-13-2-7-19(28)27-9-8-26(22(29)20(13)27)11-18-24-21(25-31-18)15-10-17(30-12-15)14-3-5-16(23)6-4-14/h2-9,15,17H,10-12H2,1H3/t15-,17+/m0/s1.
What are the key properties of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 438.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-9-methylpyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 139486485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).