Basic information
- Standard SMILES
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3ccnc-3[nH]1)N(C(=O)CN(C)C)CC2- InChIKey
WHVFDYQCAMPLMS-UHFFFAOYSA-N- Molecular formula
- C26H27FN8O3
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 518.21901492
Names & identifiers
- Preferred name
- 2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide
- IUPAC
- 2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide
Names & synonyms
CHEMBL461876Kinome_1286SCHEMBL2205342SCHEMBL12429446BDBM27799WHVFDYQCAMPLMS-UHFFFAOYSA-Npyrrolo[2,3-d]pyrimidine deriv., 232-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
Database identifiers
- PubChem CID
- 25211575
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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