Basic information
- Standard SMILES
COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)NCC(=O)O)cc3)c2c1C- InChIKey
JBBUEXINVCLQPG-UHFFFAOYSA-N- Molecular formula
- C29H27N5O7
- Average molar mass
- 557.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-{2-[1-(Carboxymethyl-carbamoyl)-1-methyl-ethoxy]-phenoxy}-phenylamino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester
- IUPAC
- 2-[[2-[2-[4-[(3-cyano-6-methoxycarbonyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)amino]phenoxy]phenoxy]-2-methylpropanoyl]amino]acetic acid
Names & synonyms
SCHEMBL5137175JBBUEXINVCLQPG-UHFFFAOYSA-N4-(4-{2-[1-(Carboxymethyl-carbamoyl)-1-methyl-ethoxy]-phenoxy}-phenylamino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 21025035
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 991
Related reactions
2 records
Compound notes
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