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

C20H25N5O3 — CID 59453076

IUPAC5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)
InChIKeyKTLFTPMXQQIXMP-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.83
Rot. Bonds3

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

5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453076) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453076
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)
InChIKeyKTLFTPMXQQIXMP-UHFFFAOYSA-N
XLogP1.83
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453076) is 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1.
What is the InChIKey of 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is KTLFTPMXQQIXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).