8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C21H20N4O3 — CID 146038513

IUPAC8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1cnn2ccccc12)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O3/c26-19(17-13-22-25-9-5-4-8-18(17)25)23-10-11-24-20(27)28-15-21(24,14-23)12-16-6-2-1-3-7-16/h1-9,13H,10-12,14-15H2
InChIKeyNHEUSNCBWIWWBC-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.22
Rot. Bonds3

About 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146038513) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146038513
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1cnn2ccccc12)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O3/c26-19(17-13-22-25-9-5-4-8-18(17)25)23-10-11-24-20(27)28-15-21(24,14-23)12-16-6-2-1-3-7-16/h1-9,13H,10-12,14-15H2
InChIKeyNHEUSNCBWIWWBC-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)benzonitrile
CID 146042629
8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045008
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103726815
8a-benzyl-7-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95713243
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
8a-ethyl-7-[2-(1,2,4-triazol-4-yl)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044891
1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-one
CID 103118159
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120226

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146038513) is 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(c1cnn2ccccc12)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is NHEUSNCBWIWWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19(17-13-22-25-9-5-4-8-18(17)25)23-10-11-24-20(27)28-15-21(24,14-23)12-16-6-2-1-3-7-16/h1-9,13H,10-12,14-15H2.
What are the key properties of 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 376.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).