5,6-diamino-2-oxo-8-piperidin-1-yl-3-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Basic information
- CAS
554405-98-0- Standard SMILES
CC(C)c1ccc(N2C(=O)Cc3c2nc(N)c2c(N)nc(N4CCCCC4)c(C#N)c32)cc1- InChIKey
AELLUTIIKLEOJV-UHFFFAOYSA-N- Molecular formula
- C25H27N7O
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.22770851
Names & identifiers
- Preferred name
- 5,6-diamino-2-oxo-8-piperidin-1-yl-3-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
- IUPAC
- 5,6-diamino-2-oxo-8-piperidin-1-yl-3-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Names & synonyms
DTXSID601103546AKOS034446071554405-98-0Z555868645,6-Diamino-2,3-dihydro-3-[4-(1-methylethyl)phenyl]-2-oxo-8-(1-piperidinyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Database identifiers
- CAS
554405-98-0- PubChem CID
- 3648469
- DTXSID
DTXSID601103546- Nikkaji
- J2.060.611H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…