Basic information
- Standard SMILES
CC(C)(C)C(=O)OCn1ccc2c(-c3cnn(C(CC(N)=O)C4CCCC4)c3)ncnc21- InChIKey
QFRRZIPSWUAYQO-UHFFFAOYSA-N- Molecular formula
- C23H30N6O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.23793884
Names & identifiers
- Preferred name
- (4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
- IUPAC
- [4-[1-(3-amino-1-cyclopentyl-3-oxopropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate(4-(1-(3-amino-1-cyclopentyl-3-oxopropyl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalateSCHEMBL2994164QFRRZIPSWUAYQO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59420164
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 677
Related reactions
17 records
Linked notes
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