N-[3-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-1-methylpyrrole-2-carboxamide
Basic information
- Standard SMILES
Cn1cccc1C(=O)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1- InChIKey
DZMMNXZDADUVRQ-UHFFFAOYSA-N- Molecular formula
- C31H25N7O3
- Average molar mass
- 543.6 g/mol
Names & identifiers
- Preferred name
- N-[3-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-1-methylpyrrole-2-carboxamide
- IUPAC
- N-[3-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-1-methylpyrrole-2-carboxamide
Names & synonyms
TCMDC-135663CHEMBL534868SCHEMBL13105317DZMMNXZDADUVRQ-UHFFFAOYSA-N1-Methyl-1H-pyrrole-2-carboxylic acid (3-{3-[2-(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-pyrimidin-4-yl]-pyrazolo[1,5-a]pyridin-2-yl}-phenyl)-amide
Database identifiers
- PubChem CID
- 44529094
- ChEMBL
CHEMBL534868
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
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