Vorolanib
N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular Identity
Vorolanib
N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID: 59215954
2D Structure
Properties
C23H26FN5O3
Molecular Formula
439.50
Molecular Weight
g/mol
439.2020
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
97.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(NC(=C1C(=O)NC2CCN(C2)C(=O)N(C)C)C)C=C3C4=C(C=CC(=C4)F)NC3=OIsomeric SMILES
SMILES: CC1=C(NC(=C1C(=O)N[C@H]2CCN(C2)C(=O)N(C)C)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=OSynonyms(20)
Vorolanib1013920-15-4YP8G3I74ELCM082CM-0821H-Pyrrole-3-carboxamide, N-((3S)-1-((dimethylamino)carbonyl)-3-pyrrolidinyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-vorolanibum(S,Z)-N-(1-(Dimethylcarbamoyl)pyrrolidin-3-yl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamideRefChem:194635CM 082N-((3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl)-5-(((3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamideVorolanib [INN]N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamideX-82 (Vorolanib)N-((3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl)-5-((Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
Data from PubChem (NCBI)
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