Basic information
- Standard SMILES
Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12- InChIKey
KLBLUTBWAAIEEZ-UHFFFAOYSA-N- Molecular formula
- C36H44N6O4
- Average molar mass
- 624.8 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
- IUPAC
- [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL2968876KLBLUTBWAAIEEZ-UHFFFAOYSA-N(+/-)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 11628755
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
3 records
Compound notes
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