N-{3-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-5-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide (HCID 68987360)

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Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)N=c2ccc(Oc3cc(C)cc(NC(=O)c4cc(C)nn4C)c3)cn2CC(N)=O)cc1
InChIKey: KDVDVQCXXSFUTA-UHFFFAOYSA-N
Molecular formula: C27H28N6O5S
Average molar mass: 548.6 g/mol
Monoisotopic mass: 548.18418919

Names & identifiers

Preferred name: N-{3-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-5-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC: N-[3-[[1-(2-amino-2-oxoethyl)-6-(4-methylphenyl)sulfonylimino-3-pyridinyl]oxy]-5-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide

Names & synonyms

SCHEMBL4286276SCHEMBL4286278KDVDVQCXXSFUTA-UHFFFAOYSA-NN-{3-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-5-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

Database identifiers

PubChem CID: 68987360

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 157 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 1,110

Related reactions

2 records

New reaction record

HRID 1874347As productuspto-grants-2012_11

HRID 1874407As reactantuspto-grants-2012_11

Compound notes

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