2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C21H21FN6O2 — CID 149320416

IUPAC2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(C2=NCC=N2)c(F)cc1-c1cnc2c(n1)N(C1CCOCC1)CC(=O)N2
InChIInChI=1S/C21H21FN6O2/c1-12-8-15(19-23-4-5-24-19)16(22)9-14(12)17-10-25-20-21(26-17)28(11-18(29)27-20)13-2-6-30-7-3-13/h4,8-10,13H,2-3,5-7,11H2,1H3,(H,25,27,29)
InChIKeyYAIVHUMHKIHPLO-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.36
Rot. Bonds3

About 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 149320416) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID149320416
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(C2=NCC=N2)c(F)cc1-c1cnc2c(n1)N(C1CCOCC1)CC(=O)N2
InChIInChI=1S/C21H21FN6O2/c1-12-8-15(19-23-4-5-24-19)16(22)9-14(12)17-10-25-20-21(26-17)28(11-18(29)27-20)13-2-6-30-7-3-13/h4,8-10,13H,2-3,5-7,11H2,1H3,(H,25,27,29)
InChIKeyYAIVHUMHKIHPLO-UHFFFAOYSA-N
XLogP2.36
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149359945
5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 66608109
8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382
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
5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66604035
8-[(1R,3R)-3-methoxycyclopentyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214224
2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215563
cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
CID 159260556
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-4-(oxan-4-ylmethyl)spiro[1H-pyrazino[2,3-b]pyrazine-3,1'-cyclobutane]-2-one;molecular hydrogen
CID 158185285
molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 160749132

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 149320416) is 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1cc(C2=NCC=N2)c(F)cc1-c1cnc2c(n1)N(C1CCOCC1)CC(=O)N2.
What is the InChIKey of 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is YAIVHUMHKIHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-12-8-15(19-23-4-5-24-19)16(22)9-14(12)17-10-25-20-21(26-17)28(11-18(29)27-20)13-2-6-30-7-3-13/h4,8-10,13H,2-3,5-7,11H2,1H3,(H,25,27,29).
What are the key properties of 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 408.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 149320416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).