ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate

C18H19FN4O4S — CID 22322153

IUPACethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(nc(C)n2C)c1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O4S/c1-5-27-18(24)14-10-20-17-15(21-11(2)22(17)3)16(14)23(4)28(25,26)13-8-6-12(19)7-9-13/h6-10H,5H2,1-4H3
InChIKeyLDLZYRHBPFQLLC-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.42
Rot. Bonds5

About ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate

ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 22322153) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID22322153
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC Nameethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(nc(C)n2C)c1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O4S/c1-5-27-18(24)14-10-20-17-15(21-11(2)22(17)3)16(14)23(4)28(25,26)13-8-6-12(19)7-9-13/h6-10H,5H2,1-4H3
InChIKeyLDLZYRHBPFQLLC-UHFFFAOYSA-N
XLogP2.42
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate (CID 22322153) is ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2c(nc(C)n2C)c1N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is LDLZYRHBPFQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-5-27-18(24)14-10-20-17-15(21-11(2)22(17)3)16(14)23(4)28(25,26)13-8-6-12(19)7-9-13/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 22322153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).