4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

HCID 68694392
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](NC(=O)OC(C)(C)C)C3=O)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1
InChIKey
CQFMDZBSDAPEGA-SANMLTNESA-N
Molecular formula
C33H33F3N8O4
Average molar mass
662.7 g/mol

Names & identifiers

Preferred name
4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide
IUPAC
tert-butyl N-[(3S)-1-[[4-[[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]methyl]-2-oxopyrrolidin-3-yl]carbamate

Names & synonyms

4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamideSCHEMBL3566670

Database identifiers

PubChem CID
68694392

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
151 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
48

Related reactions

1 records
New reaction record

Linked notes

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