Basic information
- Standard SMILES
O=C(COCc1ccccc1)Nc1c[nH]c2nccc(N3CCN(Cc4ccccc4)CC3)c12- InChIKey
CSSROCICVWTWEQ-UHFFFAOYSA-N- Molecular formula
- C27H29N5O2
- Average molar mass
- 455.6 g/mol
Names & identifiers
- Preferred name
- 2-(benzyloxy)-N-(4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
- IUPAC
- N-[4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylmethoxyacetamide
Names & synonyms
SCHEMBL3721139CSSROCICVWTWEQ-UHFFFAOYSA-N2-(benzyl oxy)-N-(4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide2-(Benzyloxy)-N-(4-(4-benzylpiperazin-1-yl)-1H-pyrrolo [2,3-b]pyridin-3-yl)acetamide2-(benzyloxy)-N-(4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
Database identifiers
- PubChem CID
- 68760187
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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