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

C21H27N5O3 — CID 59453057

IUPAC2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cn1
InChIInChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,25,27)
InChIKeyUVDSVTKKZYTBOB-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.34
Rot. Bonds5

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453057) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453057
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cn1
InChIInChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,25,27)
InChIKeyUVDSVTKKZYTBOB-UHFFFAOYSA-N
XLogP2.34
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453057) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cn1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is UVDSVTKKZYTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,25,27).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 397.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).