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

C21H14F2N6O3S — CID 52937166

IUPAC3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5cc(F)cc(F)c5)c4)cn23)no1
InChIInChI=1S/C21H14F2N6O3S/c1-12-26-21(27-32-12)19-10-25-20-3-2-13(11-29(19)20)14-4-17(9-24-8-14)28-33(30,31)18-6-15(22)5-16(23)7-18/h2-11,28H,1H3
InChIKeyQMZKKMJRFUVRPG-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.83
Rot. Bonds5

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

3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 52937166) has the molecular formula C21H14F2N6O3S and a molecular weight of 468.45 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID52937166
Molecular FormulaC21H14F2N6O3S
Molecular Weight468.45 g/mol
Exact Mass468.08
IUPAC Name3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5cc(F)cc(F)c5)c4)cn23)no1
InChIInChI=1S/C21H14F2N6O3S/c1-12-26-21(27-32-12)19-10-25-20-3-2-13(11-29(19)20)14-4-17(9-24-8-14)28-33(30,31)18-6-15(22)5-16(23)7-18/h2-11,28H,1H3
InChIKeyQMZKKMJRFUVRPG-UHFFFAOYSA-N
XLogP3.83
TPSA115.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 52937166) is 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is Cc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5cc(F)cc(F)c5)c4)cn23)no1.
What is the InChIKey of 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is QMZKKMJRFUVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O3S/c1-12-26-21(27-32-12)19-10-25-20-3-2-13(11-29(19)20)14-4-17(9-24-8-14)28-33(30,31)18-6-15(22)5-16(23)7-18/h2-11,28H,1H3.
What are the key properties of 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 468.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52937166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).