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

C25H16F2N6O4S2 — CID 155565594

IUPAC2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(-c5cccs5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H16F2N6O4S2/c1-36-23-18(32-39(34,35)21-6-5-16(26)10-17(21)27)9-15(11-29-23)14-4-7-22-28-12-19(33(22)13-14)24-30-31-25(37-24)20-3-2-8-38-20/h2-13,32H,1H3
InChIKeyDBJPPDYZAFCGNJ-UHFFFAOYSA-N
MW566.57 g/mol
LogP5.26
Rot. Bonds7

About 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155565594) has the molecular formula C25H16F2N6O4S2 and a molecular weight of 566.57 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID155565594
Molecular FormulaC25H16F2N6O4S2
Molecular Weight566.57 g/mol
Exact Mass566.06
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(-c5cccs5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H16F2N6O4S2/c1-36-23-18(32-39(34,35)21-6-5-16(26)10-17(21)27)9-15(11-29-23)14-4-7-22-28-12-19(33(22)13-14)24-30-31-25(37-24)20-3-2-8-38-20/h2-13,32H,1H3
InChIKeyDBJPPDYZAFCGNJ-UHFFFAOYSA-N
XLogP5.26
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155565594) is 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-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-thiophen-2-yl-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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(-c5cccs5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is DBJPPDYZAFCGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N6O4S2/c1-36-23-18(32-39(34,35)21-6-5-16(26)10-17(21)27)9-15(11-29-23)14-4-7-22-28-12-19(33(22)13-14)24-30-31-25(37-24)20-3-2-8-38-20/h2-13,32H,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 566.57 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155565594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).