8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen

C20H29N5O3 — CID 161067279

IUPAC8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCCC2)CC(=O)N3)cn1.CO.[H][H]
InChIInChI=1S/C19H23N5O2.CH4O.H2/c1-19(2,26)15-8-7-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-3-4-6-13;1-2;/h7-10,13,26H,3-6,11H2,1-2H3,(H,21,23,25);2H,1H3;1H
InChIKeyUEEPFSOWYBHLGJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.32
Rot. Bonds3

About 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen

8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen (PubChem CID 161067279) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen.

Molecular Properties

Compound Name8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen
PubChem CID161067279
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCCC2)CC(=O)N3)cn1.CO.[H][H]
InChIInChI=1S/C19H23N5O2.CH4O.H2/c1-19(2,26)15-8-7-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-3-4-6-13;1-2;/h7-10,13,26H,3-6,11H2,1-2H3,(H,21,23,25);2H,1H3;1H
InChIKeyUEEPFSOWYBHLGJ-UHFFFAOYSA-N
XLogP2.32
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen?
The IUPAC name of 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen (CID 161067279) is 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen.
What is the SMILES notation for 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen?
The canonical SMILES for 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCCC2)CC(=O)N3)cn1.CO.[H][H].
What is the InChIKey of 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen?
The InChIKey is UEEPFSOWYBHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.CH4O.H2/c1-19(2,26)15-8-7-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-3-4-6-13;1-2;/h7-10,13,26H,3-6,11H2,1-2H3,(H,21,23,25);2H,1H3;1H.
What are the key properties of 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen?
8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen has a molecular weight of 387.48 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen is sourced from PubChem (CID 161067279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).