(R)-6-(5-isopropyl-2-methylphenyl)-2-(3-methyl-1-tosyl-1H-indol-4-yl)-4-(3-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

HCID 71240422
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(C)c3c(-c4nc5c(c(N6CCN[C@H](C)C6)n4)CN(c4cc(C(C)C)ccc4C)CC5)cccc32)cc1
InChIKey
XPIQSQLCYQKOFQ-MUUNZHRXSA-N
Molecular formula
C38H44N6O2S
Average molar mass
648.9 g/mol

Names & identifiers

Preferred name
(R)-6-(5-isopropyl-2-methylphenyl)-2-(3-methyl-1-tosyl-1H-indol-4-yl)-4-(3-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
IUPAC
2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-4-[(3R)-3-methylpiperazin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Names & synonyms

SCHEMBL14662814XPIQSQLCYQKOFQ-MUUNZHRXSA-N(R)-6-(5-isopropyl-2-methylphenyl)-2-(3-methyl-1-tosyl-1H-indol-4-yl)-4-(3-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Database identifiers

PubChem CID
71240422

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
91.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
47

Related reactions

2 records
New reaction record

Compound notes

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