CAS 871700-24-2 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione (HCID 59717004)

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Grundinformationen

CAS: 871700-24-2
Standard-SMILES: Cc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIKey: MHHFXMZMCYWCJQ-UHFFFAOYSA-N
Summenformel: C18H15FIN3O4
Durchschnittliche Molmasse: 483,2 g/mol
Monoisotopische Masse: 483,00913

Namen und Bezeichner

Bevorzugter Name: 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione
IUPAC: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
Englischer Name: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-diMethylpyrido[2,3-d]pyriMidine-2,4,7(1H,3H,8H)-trione
Summenformel: C18H15FIN3O4
Molmasse: 483.23

Namen und Synonyme

871700-24-23-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione5S6EHX4QH63-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trioneRefChem:1067676MFCD18207185C18H15FIN3O43-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trionePyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-; 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione; 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione; GSK 1375981ATrametinib impurity 03SCHEMBL1419565

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Trametinib Impurity 4Trametinib INT

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 81,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 27
Formalladung: 0
Komplexität: 806

Physikochemische Eigenschaften

Siedepunkt: 518.2 · 518.2±60.0 °C(Predicted)
Dichte: 1.94 · 1.94±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.5 · 4.50±1.00(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3
InChIKey: MHHFXMZMCYWCJQ-UHFFFAOYSA-N
SMILES: C1(=O)N(C2CC2)C(=O)C2C(O)=C(C)C(=O)N(C)C=2N1C1=CC=C(I)C=C1F