7-cycloheptyl-2-(5-((1R,4R,7R)-7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)pyridin-2-ylamino)-N,N-dimethyl-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(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5O)cn3)nc2n1C1CCCCCC1- InChIKey
KDYZIBQFKOKQRM-MEKIYTOJSA-N- Molecular formula
- C28H35N7O3
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- 7-cycloheptyl-2-(5-((1R,4R,7R)-7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)pyridin-2-ylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- 7-cycloheptyl-2-[[5-[(1R,4R,7R)-7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
SCHEMBL2300880KDYZIBQFKOKQRM-MEKIYTOJSA-N7-cycloheptyl-2-(5-((1R,4R,7R)-7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)pyridin-2-ylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Database identifiers
- PubChem CID
- 67355403
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 865
Related reactions
2 records
Compound notes
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