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

C20H19N5O2 — CID 46215723

IUPAC2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(c2ccccc2)CC(=O)N3)cn1
InChIInChI=1S/C20H19N5O2/c1-20(2,27)16-9-8-13(10-21-16)15-11-22-18-19(23-15)25(12-17(26)24-18)14-6-4-3-5-7-14/h3-11,27H,12H2,1-2H3,(H,22,24,26)
InChIKeyKWZWONSVPZJSDW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.86
Rot. Bonds3

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46215723) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46215723
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(c2ccccc2)CC(=O)N3)cn1
InChIInChI=1S/C20H19N5O2/c1-20(2,27)16-9-8-13(10-21-16)15-11-22-18-19(23-15)25(12-17(26)24-18)14-6-4-3-5-7-14/h3-11,27H,12H2,1-2H3,(H,22,24,26)
InChIKeyKWZWONSVPZJSDW-UHFFFAOYSA-N
XLogP2.86
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46215723) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(c2ccccc2)CC(=O)N3)cn1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is KWZWONSVPZJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-20(2,27)16-9-8-13(10-21-16)15-11-22-18-19(23-15)25(12-17(26)24-18)14-6-4-3-5-7-14/h3-11,27H,12H2,1-2H3,(H,22,24,26).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 361.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-phenyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46215723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).