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

C20H25N5O3 — CID 59453133

IUPAC3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)C(=O)CN3)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23)
InChIKeyHDJQPSZZAWLLJX-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.95
Rot. Bonds4

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

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453133) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453133
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)C(=O)CN3)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23)
InChIKeyHDJQPSZZAWLLJX-UHFFFAOYSA-N
XLogP1.95
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.95
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-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453133) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-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-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)C(=O)CN3)cn1.
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is HDJQPSZZAWLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23).
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.95, 4 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-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).