5-(5-(3-Hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile

HCID 59613386

Basic information

Standard SMILES
CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIKey
BVSIZDQHJCGHDR-UHFFFAOYSA-N
Molecular formula
C21H25N7O
Average molar mass
391.5 g/mol
Monoisotopic mass
391.21205845

Names & identifiers

Preferred name
5-(5-(3-Hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
IUPAC
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

Names & synonyms

CHEMBL4743137SCHEMBL621128BVSIZDQHJCGHDR-UHFFFAOYSA-NBDBM505553935-(5-(3-Hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile

Database identifiers

PubChem CID
59613386
ChEMBL
CHEMBL4743137

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
119 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
29

Related reactions

3 records

Compound notes

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