8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C20H22N6O2 — CID 146043748

IUPAC8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1nc(N2CCN3C(=O)OCC3(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H22N6O2/c1-14-22-17-16(11-21-24(17)2)18(23-14)25-8-9-26-19(27)28-13-20(26,12-25)10-15-6-4-3-5-7-15/h3-7,11H,8-10,12-13H2,1-2H3
InChIKeyCVSJQAVJFWAAAN-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.93
Rot. Bonds3

About 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146043748) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146043748
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1nc(N2CCN3C(=O)OCC3(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H22N6O2/c1-14-22-17-16(11-21-24(17)2)18(23-14)25-8-9-26-19(27)28-13-20(26,12-25)10-15-6-4-3-5-7-15/h3-7,11H,8-10,12-13H2,1-2H3
InChIKeyCVSJQAVJFWAAAN-UHFFFAOYSA-N
XLogP1.93
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146043748) is 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is Cc1nc(N2CCN3C(=O)OCC3(Cc3ccccc3)C2)c2cnn(C)c2n1.
What is the InChIKey of 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is CVSJQAVJFWAAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-22-17-16(11-21-24(17)2)18(23-14)25-8-9-26-19(27)28-13-20(26,12-25)10-15-6-4-3-5-7-15/h3-7,11H,8-10,12-13H2,1-2H3.
What are the key properties of 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146043748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).