Basic information
- CAS
753468-42-7- Standard SMILES
N#Cc1c(N2CCN(c3ccc(F)cc3)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C1CC1- InChIKey
ZYZBQHFKIGYZKL-UHFFFAOYSA-N- Molecular formula
- C24H23FN8O
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.19788555
Names & identifiers
- Preferred name
- 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
- IUPAC
- 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Names & synonyms
MLS001003889TCMDC-1244905,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrileSMR000377675CHEMBL534743BDBM34961cid_3969360DTXSID901327028HMS2706K03AKOS034446099753468-42-7Z55598064
Show more names
5,6-bis(azanyl)-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile5,6-Diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazino]-2-keto-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Database identifiers
- CAS
753468-42-7- PubChem CID
- 3969360
- DTXSID
DTXSID901327028- ChEMBL
CHEMBL534743
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 830
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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