Talazoparib

C19H14F2N6OCAS 1207456-01-6380.36 g/mol

Open in Covalent MOL file
NNNNHNNHOFF
Aryl halideSecondary amine

Properties

Molecular formula
C19H14F2N6O
Molar mass
380.36 g/mol
Exact mass
380.1197 Da
logP
2.63Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

Danger
Health Hazard (GHS08)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P318, P319, P405, P501

Identifiers

CAS number
1207456-01-6
SMILES
CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F
InChIKey
HWGQMRYQVZSGDQ-HZPDHXFCSA-N
InChI
InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C19H15F2N6O 381.1270
[M + Na]+
[M + Na]+ Calcd for C19H14F2N6NaO 403.1089
[M − H]−
[M − H]− Calcd for C19H13F2N6O 379.1124
Elemental analysis
Anal. Calcd for C19H14F2N6O: C, 60.00; H, 3.71; N, 22.10.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 3H-Pyrido[4,3,2-de]phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-
  • (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one
  • BMN 673
  • Talzenna

Work with Talazoparib

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook