5-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinamide

HCID 59453095

Notes Reactions

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Basic information

Standard SMILES: COC1CCC(CN2C(=O)CNc3ncc(-c4cnc(C(N)=O)cc4C)nc32)CC1
InChIKey: KTKQRDMDJDFELL-UHFFFAOYSA-N
Molecular formula: C21H26N6O3
Average molar mass: 410.5 g/mol

Names & identifiers

Preferred name: 5-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinamide
IUPAC: 5-[5-[(4-methoxycyclohexyl)methyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]-4-methylpyridine-2-carboxamide

Names & synonyms

SCHEMBL151120SCHEMBL151121SCHEMBL153565KTKQRDMDJDFELL-HDJSIYSDSA-N5-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinamide

Database identifiers

PubChem CID: 59453095

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 626

Related reactions

2 records

New reaction record

HRID 194454As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2350596As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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