2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid

C20H24N4O4S — CID 54160318

IUPAC2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid
SMILESCCc1nc2nc(C)c(Cc3ccc(S(=O)(=O)N(C)CC(=O)O)cc3)c(C)c2[nH]1
InChIInChI=1S/C20H24N4O4S/c1-5-17-22-19-12(2)16(13(3)21-20(19)23-17)10-14-6-8-15(9-7-14)29(27,28)24(4)11-18(25)26/h6-9H,5,10-11H2,1-4H3,(H,25,26)(H,21,22,23)
InChIKeyONYJZPSKFOSOQX-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.43
Rot. Bonds7

About 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid

2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid (PubChem CID 54160318) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid
PubChem CID54160318
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid
SMILESCCc1nc2nc(C)c(Cc3ccc(S(=O)(=O)N(C)CC(=O)O)cc3)c(C)c2[nH]1
InChIInChI=1S/C20H24N4O4S/c1-5-17-22-19-12(2)16(13(3)21-20(19)23-17)10-14-6-8-15(9-7-14)29(27,28)24(4)11-18(25)26/h6-9H,5,10-11H2,1-4H3,(H,25,26)(H,21,22,23)
InChIKeyONYJZPSKFOSOQX-UHFFFAOYSA-N
XLogP2.43
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonylamino]propanoic acid
CID 54198576
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
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(2S)-2-[[4-[(2,6-dichloro-7H-purin-8-yl)methyl]phenyl]sulfonyl-methylamino]-4-methylpentanoic acid
CID 54524166
2-[(4-butanoylphenyl)sulfonyl-methylamino]acetic acid
CID 82164598
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
CID 43440524
4-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 135319075
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
2-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79261866
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[[4-(2-chloroethyl)phenyl]sulfonyl-methylamino]-N-ethylacetamide
CID 60959064
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid (CID 54160318) is 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid is CCc1nc2nc(C)c(Cc3ccc(S(=O)(=O)N(C)CC(=O)O)cc3)c(C)c2[nH]1.
What is the InChIKey of 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid?
The InChIKey is ONYJZPSKFOSOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-5-17-22-19-12(2)16(13(3)21-20(19)23-17)10-14-6-8-15(9-7-14)29(27,28)24(4)11-18(25)26/h6-9H,5,10-11H2,1-4H3,(H,25,26)(H,21,22,23).
What are the key properties of 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid?
2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid has a molecular weight of 416.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)methyl]phenyl]sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 54160318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).