Basic information
- Standard SMILES
Cc1nc(N)c2nc(C)n(CCCNC(=O)N[C@@H]3C[C@H]3c3ccccc3)c2c1C- InChIKey
TZBOBKUQZDPJET-ZWKOTPCHSA-N- Molecular formula
- C22H28N6O
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.23245954
Names & identifiers
- Preferred name
- N-[3-(4-amino-2,6,7-trimethyl-1H-imidazo[4,5-c]pyridin-1-yl)propyl]-N'-[(1R*,2S)-2-phenylcyclopropyl]urea
- IUPAC
- 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
Names & synonyms
SCHEMBL6288251TZBOBKUQZDPJET-ZWKOTPCHSA-NN-[3-(4-amino-2,6,7-trimethyl-1H-imidazo[4,5-c]pyridin-1-yl)propyl]-N'-[(1R*,2S)-2-phenylcyclopropyl]ureaN-[3-(4-amino-2,6,7-trimethyl-1H-imidazo[4,5-c]pyridin-1-yl)propyl]-N'-[(1R*,2S*)-2-phenylcyclopropyl]urea
Database identifiers
- PubChem CID
- 20575809
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 568
Related reactions
3 records
Compound notes
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