Basic information
- Standard SMILES
O=C(O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1- InChIKey
XOAJJPDSRLCVDN-UHFFFAOYSA-N- Molecular formula
- C22H21N5O3
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.16443955
Names & identifiers
- Preferred name
- 3-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzoic acid
- IUPAC
- 3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzoic acid
Names & synonyms
CHEMBL2314588SCHEMBL2378569BDBM50425218
Database identifiers
- PubChem CID
- 59244308
- ChEMBL
CHEMBL2314588
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
22 records
Linked notes
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