Basic information
- Standard SMILES
Cc1nc2cc(-c3cc(-c4ccccc4)ccn3)nn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(=O)O- InChIKey
URJWXJNPICKVQK-MHZLTWQESA-N- Molecular formula
- C31H37N5O3
- Average molar mass
- 527.7 g/mol
Names & identifiers
- Preferred name
- (S)-2-(tert-butoxy)-2-(7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(4-phenylpyridin-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
- IUPAC
- (2S)-2-[7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(4-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL15226537URJWXJNPICKVQK-MHZLTWQESA-N(S)-2-(tert-butoxy)-2-(7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(4-phenylpyridin-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
Database identifiers
- PubChem CID
- 86695082
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 831
Related reactions
1 records
Compound notes
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