2-(4-{4-[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-2-trifluoromethyl-phenyl}-3,6-dihydro-2H pyridin-1-yl) acetamide

HCID 66711642
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Basic information

Standard SMILES
CS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5=CCN(CC(N)=O)CC5)c(C(F)(F)F)c4)nn23)c1
InChIKey
VDUIPGUNVLCSKN-UHFFFAOYSA-N
Molecular formula
C27H25F3N6O3S
Average molar mass
570.6 g/mol

Names & identifiers

Preferred name
2-(4-{4-[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-2-trifluoromethyl-phenyl}-3,6-dihydro-2H pyridin-1-yl) acetamide
IUPAC
2-[4-[4-[[7-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

Names & synonyms

2-(4-{4-[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-2-trifluoromethyl-phenyl}-3,6-dihydro-2H pyridin-1-yl) acetamideSCHEMBL520568

Database identifiers

PubChem CID
66711642

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
40

Related reactions

1 records
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Compound notes

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