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

HCID 58981069
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Basic information

Standard SMILES
CONC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
InChIKey
ITACUEMTWYITEH-UHFFFAOYSA-N
Molecular formula
C26H28ClN7O4
Average molar mass
538 g/mol
Monoisotopic mass
537.1891301

Names & identifiers

Preferred name
5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide
IUPAC
5-[2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N-methoxy-1-methylpyrrole-3-carboxamide

Names & synonyms

SCHEMBL5408176ITACUEMTWYITEH-UHFFFAOYSA-N5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide

Database identifiers

PubChem CID
58981069

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
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Compound notes

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