Basic information
- Standard SMILES
O=C(NCc1ccncc1)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1- InChIKey
NQKSXIHKTPHYRU-UHFFFAOYSA-N- Molecular formula
- C28H27N7O2
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.22262313
Names & identifiers
- Preferred name
- 3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
- IUPAC
- 3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
Names & synonyms
SCHEMBL2378057
Database identifiers
- PubChem CID
- 59244239
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 744
Related reactions
1 records
Compound notes
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