dimethyl 2-{[(5-{4-[3-fluoro-4-({[(3-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]amino}pentanedioate
Basic information
- Standard SMILES
COC(=O)CCC(NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)ccn2)c1)C(=O)OC- InChIKey
FPOQKUYKLUQNIT-UHFFFAOYSA-N- Molecular formula
- C31H30FN5O7
- Average molar mass
- 603.6 g/mol
- Monoisotopic mass
- 603.21292648
Names & identifiers
- Preferred name
- dimethyl 2-{[(5-{4-[3-fluoro-4-({[(3-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]amino}pentanedioate
- IUPAC
- dimethyl 2-[[5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]pentanedioate
Names & synonyms
SCHEMBL14761037FPOQKUYKLUQNIT-UHFFFAOYSA-Ndimethyl 2-{[(5-{4-[3-fluoro-4-({[(3-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3-yl)carbonyl]amino}pentanedioate
Database identifiers
- PubChem CID
- 71293752
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 989
Related reactions
1 records
Compound notes
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