N1-phenyl-2-(4-{4-chloro-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-5-yl}phenyl)acetamide

HCID 22736191
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Basic information

Standard SMILES
CN1CCN(C2CCC(n3cc(-c4ccc(CC(=O)Nc5ccccc5)cc4)c4c(Cl)ncnc43)CC2)CC1
InChIKey
IOOGPNDRKWSHFI-UHFFFAOYSA-N
Molecular formula
C31H35ClN6O
Average molar mass
543.1 g/mol

Names & identifiers

Preferred name
N1-phenyl-2-(4-{4-chloro-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-5-yl}phenyl)acetamide
IUPAC
2-[4-[4-chloro-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-N-phenylacetamide

Names & synonyms

SCHEMBL6861051IOOGPNDRKWSHFI-UHFFFAOYSA-NN1-phenyl-2-(4-{4-chloro-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-5-yl}phenyl)acetamide

Database identifiers

PubChem CID
22736191

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
66.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
39

Related reactions

2 records
New reaction record

Linked notes

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