Pf-01367338

C₁₉H₂₁FN₃O₅PCAS 459868-92-9421.37 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam Phosphate Secondary amine

Properties

Molecular formula: C₁₉H₂₁FN₃O₅P
Molar mass: 421.37 g/mol
Exact mass: 421.1203 Da
logP: 2.05Crippen estimate
Polar surface area: 134.7 Å²
H-bond donors / acceptors: 6 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

459868-92-9

SMILES

CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O

InChIKey

FCCGJTKEKXUBFZ-UHFFFAOYSA-N

InChI

InChI=1S/C19H18FN3O.H3O4P/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4)

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Names and synonyms

1 names

Rucaparib phosphate

Work with Pf-01367338

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rucaparib283173-50-2Free base Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-, compd. with 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one (1:1)1859053-21-6Salt

Similar compounds

Toceranib phosphate874819-74-634 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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