[4-(6-amino-5-benzyloxy-pyridin-3-yl)-phenyl]-[(2R)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl]-methanone
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Basic information
- Standard SMILES
Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1- InChIKey
GATRKIHNNXZEBD-RUZDIDTESA-N- Molecular formula
- C28H32N4O2
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- [4-(6-amino-5-benzyloxy-pyridin-3-yl)-phenyl]-[(2R)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl]-methanone
- IUPAC
- [4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
Names & synonyms
CHEMBL1824867SCHEMBL488019GATRKIHNNXZEBD-RUZDIDTESA-NBDBM50352523[4-(6-amino-5-benzyloxy-pyridin-3-yl)-phenyl]-[(2R)-2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl]-methanone[4-(6-amino-5-benzyloxy-pyridin-3-yl)-phenyl]-[(2R)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 54576161
- ChEMBL
CHEMBL1824867
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 640
Related reactions
4 records
Compound notes
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