4-[4-[5-Amino-6-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-yl]-2-pyridyl]tetrahydropyran-4-carbonitrile

HCID 70818655

Notes Reactions

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Basic information

Standard SMILES: CNCc1ccc(-c2cc(-c3nc(-c4ccnc(C5(C#N)CCOCC5)c4)cnc3N)on2)cc1
InChIKey: OPBFGPOYNFGBSF-UHFFFAOYSA-N
Molecular formula: C26H25N7O2
Average molar mass: 467.5 g/mol

Names & identifiers

Preferred name: 4-[4-[5-Amino-6-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-yl]-2-pyridyl]tetrahydropyran-4-carbonitrile
IUPAC: 4-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile

Names & synonyms

SCHEMBL12987722OPBFGPOYNFGBSF-UHFFFAOYSA-N4-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-yl]-2-pyridyl]tetrahydropyran-4-carbonitrile

Database identifiers

PubChem CID: 70818655

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 136 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 730

Related reactions

3 records

New reaction record

HRID 331501As reactantuspto-grants-2014_11

HRID 331515As reactantuspto-grants-2014_11

HRID 331516As reactantuspto-grants-2014_11

Compound notes

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