(4-Amino-2-[1-[3-(4-methyl-piperazin-1-yl)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone

HCID 58777612

Basic information

Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(=O)(=O)CCCN3CCN(C)CC3)CC2)nc1N
InChIKey
GOZIPYFFQQSAGJ-UHFFFAOYSA-N
Molecular formula
C25H36FN7O4S
Average molar mass
549.7 g/mol

Names & identifiers

Preferred name
(4-Amino-2-[1-[3-(4-methyl-piperazin-1-yl)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone
IUPAC
[4-amino-2-[[1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-yl]amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone

Names & synonyms

SCHEMBL4350970GOZIPYFFQQSAGJ-UHFFFAOYSA-N(4-amino-2-[1-[3-(4-methyl-piperazin-1-yl)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
58777612

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
142 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
38

Related reactions

3 records

Compound notes

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