1-[3-Tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
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Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(CC(=O)N3CCC(O)C3)cc2)n1- InChIKey
INVIKJXXMWWVIL-UHFFFAOYSA-N- Molecular formula
- C31H34N6O4
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- 1-[3-Tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
- IUPAC
- 1-[3-tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
Database identifiers
- PubChem CID
- 73022337
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 861
Related reactions
2 records
Compound notes
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