US10273222, Example 38

HCID 90408158
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
InChIKey
XBGIGBHCVFRAGP-UHFFFAOYSA-N
Molecular formula
C19H19FN4O2
Average molar mass
354.4 g/mol
Monoisotopic mass
354.14920402

Names & identifiers

Preferred name
US10273222, Example 38
IUPAC
2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

Names & synonyms

CHEMBL4293019SCHEMBL16034926XBGIGBHCVFRAGP-UHFFFAOYSA-NBDBM381980US10273222, Example 382-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid2-[1-[2-[(4-fluorophenyl)methyl- methylamino]ethyl]imidazol-4- yl]pyridine-4-carboxylic acid

Database identifiers

PubChem CID
90408158
ChEMBL
CHEMBL4293019

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
71.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26

Related reactions

1 records
New reaction record

Linked notes

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