Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCC[C@H]2CNCC2CC2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1- InChIKey
LTPDAVZWGDEJOZ-JOODZBNRSA-N- Molecular formula
- C30H31FN4O2
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- 3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl}-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- (3Z)-3-[[3-[(2S)-2-[(cyclopropylmethylamino)methyl]pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
Names & synonyms
3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl}-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one3-[1-(3-{(s)-2-[(cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl}-5-methyl-1h-pyrrol-2-yl)-meth-(z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-oneSCHEMBL6327114LTPDAVZWGDEJOZ-JOODZBNRSA-N3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl}-5-methyl-1 H-pyrrol-2-yl)-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
Database identifiers
- PubChem CID
- 60061516
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 891
Related reactions
2 records
Compound notes
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