{2-Amino-6-[1-(propane-1-sulfonyl)-piperidin-4-ylamino]-pyridin-3-yl}-(5-fluoro-2-methoxy-phenyl)-methanone

HCID 11612128
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Basic information

Standard SMILES
CCCS(=O)(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIKey
NYFMNJGZOMUGSD-UHFFFAOYSA-N
Molecular formula
C21H27FN4O4S
Average molar mass
450.5 g/mol

Names & identifiers

Preferred name
{2-Amino-6-[1-(propane-1-sulfonyl)-piperidin-4-ylamino]-pyridin-3-yl}-(5-fluoro-2-methoxy-phenyl)-methanone
IUPAC
[2-amino-6-[(1-propylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone

Names & synonyms

SCHEMBL3836126NYFMNJGZOMUGSD-UHFFFAOYSA-N{2-Amino-6-[1-(propane-1-sulfonyl)-piperidin-4-ylamino]-pyridin-3-yl}-(5-fluoro-2-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
11612128

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Compound notes

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