Basic information
- Standard SMILES
Cc1cc(CCC(=O)O)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21- InChIKey
UUAHMHQVIZRZHA-UHFFFAOYSA-N- Molecular formula
- C22H19ClFN5O3
- Average molar mass
- 455.9 g/mol
Names & identifiers
- Preferred name
- 3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-YL}-propionic acid
- IUPAC
- 3-[5-[[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid
Names & synonyms
SCHEMBL6531874UUAHMHQVIZRZHA-UHFFFAOYSA-N3-{5-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-6-OXO-6,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-5-YLIDENEMETHYL] -4-METHYL-1H-PYRROL-2-YL}-PROPIONIC ACID3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo[2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-yl}-propionic Acid
Database identifiers
- PubChem CID
- 69815534
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
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