3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

HCID 58327807
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Basic information

Standard SMILES
O=C(O)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
InChIKey
FXRCFFALUXCHMV-UHFFFAOYSA-N
Molecular formula
C22H17ClF3N3O2
Average molar mass
447.8 g/mol

Names & identifiers

Preferred name
3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid
IUPAC
3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid

Names & synonyms

3-{1-[5-chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acidSCHEMBL1602175

Database identifiers

PubChem CID
58327807

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
65.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
31

Related reactions

220 records
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Linked notes

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