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2-ETHYL-5,7-DIMETHYL-3-(4-{2-[METHYL({[(4-METHYLPHENYL)SULFONYL]AMINO}CARBONYL)AMINO]ETHYL}PHENYL)-3H-IMIDAZO[4,5-b]PYRIDINE

HCID 21875765
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCN(C)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
IBFDKPDVDWAFLS-UHFFFAOYSA-N
Molecular formula
C27H31N5O3S
Average molar mass
505.6 g/mol

Names & identifiers

Preferred name
2-ETHYL-5,7-DIMETHYL-3-(4-{2-[METHYL({[(4-METHYLPHENYL)SULFONYL]AMINO}CARBONYL)AMINO]ETHYL}PHENYL)-3H-IMIDAZO[4,5-b]PYRIDINE
IUPAC
1-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-1-methyl-3-(4-methylphenyl)sulfonylurea

Names & synonyms

SCHEMBL1623254IBFDKPDVDWAFLS-UHFFFAOYSA-N2-Ethyl-5,7-dimethyl-3-(4-{2-[methyl({[(4-methylphenyl)sulfonyl]amino}carbonyl) amino]ethyl}phenyl)-3H-imidazo[4,5-b]pyridine2-ethyl-5,7-dimethyl-3-(4-{2-[methyl({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl) -3H-imidazo[4,5-b]pyridine2-ETHYL-5,7-DIMETHYL-3-(4-{2-[METHYL({[(4-METHYLPHENYL)SULFONYL]AMINO}CARBONYL)AMINO]ETHYL}PHENYL)-3H-IMIDAZO[4,5-b]PYRIDINE2-ETHYL-5,7-DIMETHYL-3-(4-{2-[METHYL({[(4-METHYLPHENYL)SULFONYL]AMINO}CARBONYL)AMINO]ETHYL}PHENYL)-3H-IMIDAZO[4.5-b]PYRIDINE

Database identifiers

PubChem CID
21875765

Properties

Computed structural properties

XLogP
5
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Formal charge
0
Complexity
833

Related reactions

7 records
New reaction record
HRID 50421 reaction equation
HRID 50421As productuspto-grants-2004_03
HRID 176291 reaction equation
HRID 176291As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 724024 reaction equation
HRID 724024As productuspto-grants-2006_11
HRID 858384 reaction equation
HRID 858384As productuspto-grants-2006_12
HRID 1454579 reaction equation
HRID 1454579As productuspto-grants-2009_01
HRID 2077641 reaction equation
HRID 2077641As productuspto-grants-2011_04
HRID 2322171 reaction equation
HRID 2322171As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes