2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetate

HCID 86643593
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3nc(N[C@H](C)C4CCNCC4)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1.O=C(O)C(F)(F)F
InChIKey
JJMIXJBHSDDFQU-UNTBIKODSA-N
Molecular formula
C29H27F6N7O4S
Average molar mass
683.6 g/mol

Names & identifiers

Preferred name
2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetate
IUPAC
4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-[[(1R)-1-piperidin-4-ylethyl]amino]pyrimidine-5-carbonitrile;2,2,2-trifluoroacetic acid

Names & synonyms

2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetateSCHEMBL3503320

Database identifiers

PubChem CID
86643593

Properties

Computed structural properties

Topological polar surface area
171 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
16
Rotatable bonds
6
Heavy atoms
47

Related reactions

6 records
New reaction record

Linked notes

Loading…