5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

HCID 58981119

Grundinformationen

Standard-SMILES
Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)O)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1
InChIKey
WCPQUUWMEOSPMW-UHFFFAOYSA-N
Summenformel
C26H28N6O4
Durchschnittliche Molmasse
488,5 g/mol
Monoisotopische Masse
488,2172034

Namen und Bezeichner

Bevorzugter Name
5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
IUPAC
1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxylic acid

Namen und Synonyme

5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d}pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylic acidSCHEMBL5395867WCPQUUWMEOSPMW-UHFFFAOYSA-N5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

Datenbank-Bezeichner

PubChem CID
58981119

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
116 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
6
Schwere Atome
36

Zugehörige Reaktionen

8

Notizen zur Verbindung

Wird geladen…