Basic information
- Standard SMILES
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C(=O)c3ccnc(N)c3)c3ccccc23)cc1- InChIKey
XZTACNWKPYWDLG-UHFFFAOYSA-N- Molecular formula
- C31H30N6O2
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.24302422
Names & identifiers
- Preferred name
- 1-(4-(2-aminoisonicotinoyl)naphthalen-1-yl)-3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)urea
- IUPAC
- 1-[4-(2-aminopyridine-4-carbonyl)naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
Names & synonyms
SCHEMBL2576702XZTACNWKPYWDLG-UHFFFAOYSA-N1-(4-(2-aminoisonicotinoyl)naphthalen-1-yl)-3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)urea
Database identifiers
- PubChem CID
- 67459255
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 853
Related reactions
1 records
Compound notes
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