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

C19H24N6O2 — CID 46215382

IUPAC2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCNCC2)CC(=O)N3)cn1
InChIInChI=1S/C19H24N6O2/c1-19(2,27)15-4-3-12(9-21-15)14-10-22-17-18(23-14)25(11-16(26)24-17)13-5-7-20-8-6-13/h3-4,9-10,13,20,27H,5-8,11H2,1-2H3,(H,22,24,26)
InChIKeyXBTBXISVXWQPKC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.28
Rot. Bonds3

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46215382) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46215382
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCNCC2)CC(=O)N3)cn1
InChIInChI=1S/C19H24N6O2/c1-19(2,27)15-4-3-12(9-21-15)14-10-22-17-18(23-14)25(11-16(26)24-17)13-5-7-20-8-6-13/h3-4,9-10,13,20,27H,5-8,11H2,1-2H3,(H,22,24,26)
InChIKeyXBTBXISVXWQPKC-UHFFFAOYSA-N
XLogP1.28
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.28
H-Bond Donors ≤ 53
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-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46215382) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCNCC2)CC(=O)N3)cn1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is XBTBXISVXWQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,27)15-4-3-12(9-21-15)14-10-22-17-18(23-14)25(11-16(26)24-17)13-5-7-20-8-6-13/h3-4,9-10,13,20,27H,5-8,11H2,1-2H3,(H,22,24,26).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 368.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 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-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46215382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).