1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

C13H12FN7O4S — CID 14421898

IUPAC1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(F)nc3ccccn23)n1
InChIInChI=1S/C13H12FN7O4S/c1-7-15-11(19-13(16-7)25-2)18-12(22)20-26(23,24)10-9(14)17-8-5-3-4-6-21(8)10/h3-6H,1-2H3,(H2,15,16,18,19,20,22)
InChIKeyQYXPEHBONSEEAU-UHFFFAOYSA-N
MW381.35 g/mol
LogP0.49
Rot. Bonds4

About 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 14421898) has the molecular formula C13H12FN7O4S and a molecular weight of 381.35 g/mol. Its IUPAC name is 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
PubChem CID14421898
Molecular FormulaC13H12FN7O4S
Molecular Weight381.35 g/mol
Exact Mass381.07
IUPAC Name1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(F)nc3ccccn23)n1
InChIInChI=1S/C13H12FN7O4S/c1-7-15-11(19-13(16-7)25-2)18-12(22)20-26(23,24)10-9(14)17-8-5-3-4-6-21(8)10/h3-6H,1-2H3,(H2,15,16,18,19,20,22)
InChIKeyQYXPEHBONSEEAU-UHFFFAOYSA-N
XLogP0.49
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 14421898) is 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(F)nc3ccccn23)n1.
What is the InChIKey of 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is QYXPEHBONSEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7O4S/c1-7-15-11(19-13(16-7)25-2)18-12(22)20-26(23,24)10-9(14)17-8-5-3-4-6-21(8)10/h3-6H,1-2H3,(H2,15,16,18,19,20,22).
What are the key properties of 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 381.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 14421898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).