Basic information
- Standard SMILES
C[C@@H](N)c1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1- InChIKey
PGVDKARZSLSOFK-MRXNPFEDSA-N- Molecular formula
- C25H21N5
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.17969569
Names & identifiers
- Preferred name
- (1R)-1-{4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl}ethanamine
- IUPAC
- (1R)-1-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]ethanamine
Names & synonyms
SCHEMBL1352354PGVDKARZSLSOFK-MRXNPFEDSA-N(1R)-1-{4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl}ethanamine
Database identifiers
- PubChem CID
- 46866448
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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