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

C21H27N5O2 — CID 46215564

IUPAC8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCCCC2)CC(=O)N3)cn1
InChIInChI=1S/C21H27N5O2/c1-21(2,28)17-9-8-15(10-22-17)16-11-23-19-20(24-16)26(13-18(27)25-19)12-14-6-4-3-5-7-14/h8-11,14,28H,3-7,12-13H2,1-2H3,(H,23,25,27)
InChIKeyQKLRYTKMUYKEAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.10
Rot. Bonds4

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

8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46215564) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46215564
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCCCC2)CC(=O)N3)cn1
InChIInChI=1S/C21H27N5O2/c1-21(2,28)17-9-8-15(10-22-17)16-11-23-19-20(24-16)26(13-18(27)25-19)12-14-6-4-3-5-7-14/h8-11,14,28H,3-7,12-13H2,1-2H3,(H,23,25,27)
InChIKeyQKLRYTKMUYKEAJ-UHFFFAOYSA-N
XLogP3.10
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46215564) is 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCCCC2)CC(=O)N3)cn1.
What is the InChIKey of 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is QKLRYTKMUYKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-21(2,28)17-9-8-15(10-22-17)16-11-23-19-20(24-16)26(13-18(27)25-19)12-14-6-4-3-5-7-14/h8-11,14,28H,3-7,12-13H2,1-2H3,(H,23,25,27).
What are the key properties of 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 381.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46215564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).