Basic information
- CAS
2863018-39-5- Standard SMILES
O=C(c1ccc2n[nH]c(C#Cc3ccccc3-c3ccccc3)c2c1)N1CC2(CCCNC2)C1- InChIKey
YXMAOKMVGOSRPS-UHFFFAOYSA-N- Molecular formula
- C29H26N4O
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.21066147
Names & identifiers
- Preferred name
- (3-([1,1'-Biphenyl]-2-ylethynyl)-1H-indazol-5-yl)(2,6-diazaspiro[3.5]nonan-2-yl)methanone
- IUPAC
- 2,8-diazaspiro[3.5]nonan-2-yl-[3-[2-(2-phenylphenyl)ethynyl]-2H-indazol-5-yl]methanone
Names & synonyms
CDD-28073086536-23-1DTXSID901375972(3-([1,1'-Biphenyl]-2-ylethynyl)-1H-indazol-5-yl)(2,6-diazaspiro[3.5]nonan-2-yl)methanone2863018-39-5
Database identifiers
- CAS
2863018-39-5- PubChem CID
- 175666967
- DTXSID
DTXSID901375972
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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