Basic information
- Standard SMILES
Cc1c[nH]c2ncnc(N3CCC(CNC(=O)Cc4cnc[nH]4)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12- InChIKey
BVNRDZPZKKSCGV-UHFFFAOYSA-N- Molecular formula
- C28H33N9O4
- Average molar mass
- 559.6 g/mol
Names & identifiers
- Preferred name
- 3-(4-((2-(1H-imidazol-5-yl)acetamido)methyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate
- IUPAC
- [3-[[4-[[[2-(1H-imidazol-5-yl)acetyl]amino]methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
Names & synonyms
SCHEMBL4295814BVNRDZPZKKSCGV-UHFFFAOYSA-N3-(4-((2-(1H-imidazol-5-yl)acetamido)methyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate
Database identifiers
- PubChem CID
- 44482114
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 928
Related reactions
3 records
Compound notes
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