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

C22H28N4O3 — CID 58298334

IUPAC2-[4-(2-hydroxypropan-2-yl)phenyl]-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)cc1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(24-18)26(14-19(27)25-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,23,25,27)
InChIKeyNJXKFIOLXCRUCQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.95
Rot. Bonds5

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

2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 58298334) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID58298334
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[4-(2-hydroxypropan-2-yl)phenyl]-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)cc1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(24-18)26(14-19(27)25-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,23,25,27)
InChIKeyNJXKFIOLXCRUCQ-UHFFFAOYSA-N
XLogP2.95
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CC 223
CID 58298316
5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24983588
5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24983749
3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985362
8-(Cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215564
2-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-8-[(4-methoxycyclohexyl)methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215565
3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 57397894
6-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-4-((tetrahydro-2H-pyran-4-yl)methyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298312
7-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxyethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298333
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
2-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453060
3-[4-(2-Hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 58298334) is 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)phenyl]-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)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is NJXKFIOLXCRUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(24-18)26(14-19(27)25-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,23,25,27).
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 396.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 58298334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).