Basic information
- Standard SMILES
C[C@@]1(c2cc(F)cc(F)c2)CN(CCCl)C2(CCCC2)C(=O)N1CC#Cc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21- InChIKey
LYFCGADSCZDGIQ-LQJZCPKCSA-N- Molecular formula
- C34H32ClF2N5O2
- Average molar mass
- 616.1 g/mol
- Monoisotopic mass
- 615.2212593
Names & identifiers
- Preferred name
- (6S)-3-{3-[(8R)-6-(2-Chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
- IUPAC
- (3S)-3'-[3-[(8R)-6-(2-chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
Names & synonyms
SCHEMBL979196LYFCGADSCZDGIQ-LQJZCPKCSA-N(6S)-3-{3-[(8R)-6-(2-chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5] dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one(6S)-3-{3-[(8R)-6-(2-Chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
Database identifiers
- PubChem CID
- 66865111
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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