2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C22H16F2N6O4S — CID 155512538

IUPAC2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N6O4S/c1-12-27-28-22(34-12)18-10-25-20-6-3-13(11-30(18)20)14-7-17(21(33-2)26-9-14)29-35(31,32)19-5-4-15(23)8-16(19)24/h3-11,29H,1-2H3
InChIKeyHHWDJQYDXDBKRO-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.84
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155512538) has the molecular formula C22H16F2N6O4S and a molecular weight of 498.47 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID155512538
Molecular FormulaC22H16F2N6O4S
Molecular Weight498.47 g/mol
Exact Mass498.09
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N6O4S/c1-12-27-28-22(34-12)18-10-25-20-6-3-13(11-30(18)20)14-7-17(21(33-2)26-9-14)29-35(31,32)19-5-4-15(23)8-16(19)24/h3-11,29H,1-2H3
InChIKeyHHWDJQYDXDBKRO-UHFFFAOYSA-N
XLogP3.84
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155512538) is 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is HHWDJQYDXDBKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O4S/c1-12-27-28-22(34-12)18-10-25-20-6-3-13(11-30(18)20)14-7-17(21(33-2)26-9-14)29-35(31,32)19-5-4-15(23)8-16(19)24/h3-11,29H,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 498.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155512538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).