Basic information
- Standard SMILES
Cl.O=c1ccc2ncc(F)c3c2n1CC3CN1CC[C@H](NCc2cc3c(cn2)OCCO3)[C@H](F)C1- InChIKey
UAKJIQGWJWYLSY-HXKFWYCDSA-N- Molecular formula
- C24H26ClF2N5O3
- Average molar mass
- 505.9 g/mol
- Monoisotopic mass
- 505.1692237
Names & identifiers
- Preferred name
- 4-({cis-4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-3-fluoro-1-piperidinyl}methyl)-3-fluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one Hydrochloride
- IUPAC
- 3-[[(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-fluoropiperidin-1-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one;hydrochloride
Names & synonyms
SCHEMBL3548014UAKJIQGWJWYLSY-HXKFWYCDSA-N4-({cis-4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-3-fluoro-1-piperidinyl}methyl)-3-fluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one Hydrochloride
Database identifiers
- PubChem CID
- 68685495
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Related reactions
1 records
Compound notes
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