3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonyl]-thiophene-2-carboxylic acid methyl ester

HCID 58777631

Basic information

Standard SMILES
COC(=O)c1sccc1S(=O)(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIKey
RCRXKYYHHOHHKM-UHFFFAOYSA-N
Molecular formula
C23H24FN5O6S2
Average molar mass
549.6 g/mol
Monoisotopic mass
549.11520401

Names & identifiers

Preferred name
3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonyl]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Names & synonyms

SCHEMBL4358704RCRXKYYHHOHHKM-UHFFFAOYSA-N3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonyl]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
58777631

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
190 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
13
Rotatable bonds
9
Heavy atoms
37

Related reactions

3 records

Compound notes

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