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

C21H17FN4O4 — CID 139486607

IUPAC2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2CO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C21H17FN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2/t14-,17+/m0/s1
InChIKeyWQGVDODKSWKQSI-WMLDXEAASA-N
MW408.39 g/mol
LogP2.28
Rot. Bonds4

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

2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 139486607) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
PubChem CID139486607
Molecular FormulaC21H17FN4O4
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC Name2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2CO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C21H17FN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2/t14-,17+/m0/s1
InChIKeyWQGVDODKSWKQSI-WMLDXEAASA-N
XLogP2.28
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

US10710994, Example 46
CID 139486445
US10710994, Example 47
CID 139486457
US10710994, Example 49
CID 139486485
US10710994, Example 98
CID 139486522
US10710994, Example 128
CID 139486552
US10710994, Example 88
CID 139486560
US10710994, Example 82
CID 139486617
US10710994, Example 63
CID 155883533
US10710994, Example 99
CID 155883549
US10710994, Example 124
CID 155883555
2-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58101032
5-(Benzyloxy)-2-cyclopentyl-6-(3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl)-3-methylpyrimidin-4(3H)-one
CID 58458939

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (CID 139486607) is 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is O=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2CO[C@@H](c3ccc(F)cc3)C2)no1.
What is the InChIKey of 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is WQGVDODKSWKQSI-WMLDXEAASA-N. The full InChI is InChI=1S/C21H17FN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2/t14-,17+/m0/s1.
What are the key properties of 2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
2-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 408.39 g/mol, XLogP of 2.28, 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-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 139486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).