Basic information
- CAS
1194732-44-9- Standard SMILES
O=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(c1)CCN2C1CNC1- InChIKey
SNBFZISWYLNZCL-UHFFFAOYSA-N- Molecular formula
- C21H19ClN4O
- Average molar mass
- 378.9 g/mol
- Monoisotopic mass
- 378.1247389
Names & identifiers
- Preferred name
- 1'-[1-(Azetidin-3-yl)-2,3-dihydro-1H-indol-5-yl]-5-chloro[2,4'-bipyridin]-2'(1'H)-one
- IUPAC
- 1-[1-(azetidin-3-yl)-2,3-dihydroindol-5-yl]-4-(5-chloro-2-pyridinyl)pyridin-2-one
Names & synonyms
SCHEMBL13622717DTXSID9011282541'-[1-(Azetidin-3-yl)-2,3-dihydro-1H-indol-5-yl]-5-chloro[2,4'-bipyridin]-2'(1'H)-one1194732-44-91a(2)-[1-(3-Azetidinyl)-2,3-dihydro-1H-indol-5-yl]-5-chloro[2,4a(2)-bipyridin]-2a(2)(1a(2)H)-one
Database identifiers
- CAS
1194732-44-9- PubChem CID
- 70952467
- DTXSID
DTXSID901128254
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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