7-cycloheptyl-N,N-dimethyl-2-(5-((3aS,7aR)-6-oxotetrahydro-1H-pyrrolo[3,4-c]pyridin-5(6H,7H,7aH)-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CNC[C@@H]5CC4=O)cn3)nc2n1C1CCCCCC1- InChIKey
BXALLQBVYDONPU-ICSRJNTNSA-N- Molecular formula
- C28H36N8O2
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- 7-cycloheptyl-N,N-dimethyl-2-(5-((3aS,7aR)-6-oxotetrahydro-1H-pyrrolo[3,4-c]pyridin-5(6H,7H,7aH)-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- 2-[[5-[(3aS,7aR)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cycloheptyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
SCHEMBL2301005CHEMBL3691626BXALLQBVYDONPU-ICSRJNTNSA-NBDBM147049US8957074, 897-cycloheptyl-N,N-dimethyl-2-(5-((3aS,7aR)-6-oxotetrahydro-1H-pyrrolo[3,4-c]pyridin-5(6H,7H,7aH)-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide7-cycloheptyl-N,N-dimethyl-2-(5-(cis-6-oxotetrahydro-1H-pyrrolo[3,4-c]pyridin-5(6H,7H,7aH)-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Database identifiers
- PubChem CID
- 67355451
- ChEMBL
CHEMBL3691626
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 849
Related reactions
4 records
Compound notes
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