Tert-butyl 4-(5-(((3-fluoro-2'-(trifluoromethyl)-[2,4'-bipyridin]-5-yl)methyl)carbamoyl)pyridin-2-yl)piperazine-1-carboxylate

HCID 86679720
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)cn2)CC1
InChIKey
QVVPMHLGWGTNJC-UHFFFAOYSA-N
Molecular formula
C27H28F4N6O3
Average molar mass
560.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(5-(((3-fluoro-2'-(trifluoromethyl)-[2,4'-bipyridin]-5-yl)methyl)carbamoyl)pyridin-2-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[5-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate

Names & synonyms

tert-butyl 4-(5-(((3-fluoro-2'-(trifluoromethyl)-[2,4'-bipyridin]-5-yl)methyl)carbamoyl)pyridin-2-yl)piperazine-1-carboxylateSCHEMBL14817880

Database identifiers

PubChem CID
86679720

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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