(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one

C22H29N5O3 — CID 59453120

IUPAC(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
SMILESC[C@@H]1Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(CCC2CCOCC2)C1=O
InChIInChI=1S/C22H29N5O3/c1-14-21(28)27(9-6-15-7-10-30-11-8-15)20-19(25-14)24-13-17(26-20)16-4-5-18(23-12-16)22(2,3)29/h4-5,12-15,29H,6-11H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyZRGPQVFLCQCXGM-AWEZNQCLSA-N
MW411.51 g/mol
LogP2.73
Rot. Bonds5

About (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one

(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one (PubChem CID 59453120) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
PubChem CID59453120
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
SMILESC[C@@H]1Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(CCC2CCOCC2)C1=O
InChIInChI=1S/C22H29N5O3/c1-14-21(28)27(9-6-15-7-10-30-11-8-15)20-19(25-14)24-13-17(26-20)16-4-5-18(23-12-16)22(2,3)29/h4-5,12-15,29H,6-11H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyZRGPQVFLCQCXGM-AWEZNQCLSA-N
XLogP2.73
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 159072734
3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453124
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[[(2R)-oxolan-2-yl]methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162209513
2-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215037
2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66715890
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215723
4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 46214724
8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen
CID 161067279
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162025839
2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol
CID 152621035

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one (CID 59453120) is (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one is C[C@@H]1Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N(CCC2CCOCC2)C1=O.
What is the InChIKey of (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The InChIKey is ZRGPQVFLCQCXGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-21(28)27(9-6-15-7-10-30-11-8-15)20-19(25-14)24-13-17(26-20)16-4-5-18(23-12-16)22(2,3)29/h4-5,12-15,29H,6-11H2,1-3H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one has a molecular weight of 411.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 59453120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).