2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C18H20N6O3 — CID 70785821

IUPAC2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCN2CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2C1=O
InChIInChI=1S/C18H20N6O3/c1-22-6-7-23-8-9-24(11-15(23)16(22)25)18-20-5-3-13(21-18)14-10-12(17(26)27)2-4-19-14/h2-5,10,15H,6-9,11H2,1H3,(H,26,27)
InChIKeySKGNMOOWELZSQS-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.20
Rot. Bonds3

About 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70785821) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70785821
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCN2CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2C1=O
InChIInChI=1S/C18H20N6O3/c1-22-6-7-23-8-9-24(11-15(23)16(22)25)18-20-5-3-13(21-18)14-10-12(17(26)27)2-4-19-14/h2-5,10,15H,6-9,11H2,1H3,(H,26,27)
InChIKeySKGNMOOWELZSQS-UHFFFAOYSA-N
XLogP0.20
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70785821) is 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is CN1CCN2CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2C1=O.
What is the InChIKey of 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is SKGNMOOWELZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-6-7-23-8-9-24(11-15(23)16(22)25)18-20-5-3-13(21-18)14-10-12(17(26)27)2-4-19-14/h2-5,10,15H,6-9,11H2,1H3,(H,26,27).
What are the key properties of 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 368.40 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70785821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).