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

C21H27N5O3 — CID 59453060

IUPAC2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
InChIInChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(24-16)26(12-18(27)25-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,25,27)
InChIKeyZGLONRFJOSBXER-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.48
Rot. Bonds4

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453060) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453060
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
InChIInChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(24-16)26(12-18(27)25-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,25,27)
InChIKeyZGLONRFJOSBXER-UHFFFAOYSA-N
XLogP2.48
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453060) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is ZGLONRFJOSBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(24-16)26(12-18(27)25-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,25,27).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 397.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).