6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H13ClF2N6O4S2 — CID 71558161

IUPAC6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cn12
InChIInChI=1S/C22H13ClF2N6O4S2/c23-12-2-3-17(13(5-12)11-1-4-20-27-8-16(21(26)32)31(20)9-11)35-18-6-15(25)19(7-14(18)24)37(33,34)30-22-28-10-29-36-22/h1-10H,(H2,26,32)(H,28,29,30)
InChIKeyWFLUFASKXQGALC-UHFFFAOYSA-N
MW562.97 g/mol
LogP4.48
Rot. Bonds7

About 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71558161) has the molecular formula C22H13ClF2N6O4S2 and a molecular weight of 562.97 g/mol. Its IUPAC name is 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71558161
Molecular FormulaC22H13ClF2N6O4S2
Molecular Weight562.97 g/mol
Exact Mass562.01
IUPAC Name6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cn12
InChIInChI=1S/C22H13ClF2N6O4S2/c23-12-2-3-17(13(5-12)11-1-4-20-27-8-16(21(26)32)31(20)9-11)35-18-6-15(25)19(7-14(18)24)37(33,34)30-22-28-10-29-36-22/h1-10H,(H2,26,32)(H,28,29,30)
InChIKeyWFLUFASKXQGALC-UHFFFAOYSA-N
XLogP4.48
TPSA141.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.97
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71558161) is 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cn12.
What is the InChIKey of 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WFLUFASKXQGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N6O4S2/c23-12-2-3-17(13(5-12)11-1-4-20-27-8-16(21(26)32)31(20)9-11)35-18-6-15(25)19(7-14(18)24)37(33,34)30-22-28-10-29-36-22/h1-10H,(H2,26,32)(H,28,29,30).
What are the key properties of 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 562.97 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71558161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).