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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(Cn2cccn2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
JDHBECOXDIFZJJ-UHFFFAOYSA-N- Molecular formula
- C28H33ClN8O3
- Average molar mass
- 565.1 g/mol
- Monoisotopic mass
- 564.2364146
Names & identifiers
- Preferred name
- tert-butyl 4-(1-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[1-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL387574JDHBECOXDIFZJJ-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
Database identifiers
- PubChem CID
- 57750325
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 872
Related reactions
4 records
Compound notes
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