Basic information
- Standard SMILES
CC1(C#Cc2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1- InChIKey
JMBPYSPGOIPBKR-SANMLTNESA-N- Molecular formula
- C26H21FN4O3
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.15976871
Names & identifiers
- Preferred name
- (S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-5'-amine
- IUPAC
- (5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
Names & synonyms
SCHEMBL2521687JMBPYSPGOIPBKR-SANMLTNESA-N(S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-5'-amine
Database identifiers
- PubChem CID
- 58465992
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 882
Related reactions
2 records
Compound notes
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