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

HCID 58777670

Basic information

Standard SMILES
COCC(C)NCCCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIKey
FXEULMLEXPNSIX-UHFFFAOYSA-N
Molecular formula
C24H35FN6O5S
Average molar mass
538.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL4355785FXEULMLEXPNSIX-UHFFFAOYSA-N(4-Amino-2-[1-[3-(2-methoxy-1-methyl-ethylamino)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
58777670

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
13
Heavy atoms
37

Related reactions

3 records

Compound notes

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