3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C19H23N5O3 — CID 59453125

IUPAC3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1
InChIInChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyIHCVPLCAIWFKAI-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.70
Rot. Bonds3

About 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453125) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453125
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1
InChIInChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyIHCVPLCAIWFKAI-UHFFFAOYSA-N
XLogP1.70
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453125) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1.
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is IHCVPLCAIWFKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22).
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 369.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).