Basic information
- Standard SMILES
O=C(NCC1CCCCC1)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1- InChIKey
OTWGJHMZEKPCQD-UHFFFAOYSA-N- Molecular formula
- C29H34N6O2
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- N-(cyclohexylmethyl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
- IUPAC
- N-(cyclohexylmethyl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
Names & synonyms
SCHEMBL2378244
Database identifiers
- PubChem CID
- 59244665
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 742
Related reactions
1 records
Linked notes
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