N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide

C18H17F3N4O6S — CID 170733443

IUPACN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2cc(C3(O)COC3)ccn12
InChIInChI=1S/C18H17F3N4O6S/c1-29-17-12(5-11(19)16(23-17)31-7-13(20)21)24-32(27,28)15-6-22-14-4-10(2-3-25(14)15)18(26)8-30-9-18/h2-6,13,24,26H,7-9H2,1H3
InChIKeyPJTOINIBDQGWLD-UHFFFAOYSA-N
MW474.42 g/mol
LogP1.54
Rot. Bonds8

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 170733443) has the molecular formula C18H17F3N4O6S and a molecular weight of 474.42 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID170733443
Molecular FormulaC18H17F3N4O6S
Molecular Weight474.42 g/mol
Exact Mass474.08
IUPAC NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2cc(C3(O)COC3)ccn12
InChIInChI=1S/C18H17F3N4O6S/c1-29-17-12(5-11(19)16(23-17)31-7-13(20)21)24-32(27,28)15-6-22-14-4-10(2-3-25(14)15)18(26)8-30-9-18/h2-6,13,24,26H,7-9H2,1H3
InChIKeyPJTOINIBDQGWLD-UHFFFAOYSA-N
XLogP1.54
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 170733443) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2cc(C3(O)COC3)ccn12.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is PJTOINIBDQGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O6S/c1-29-17-12(5-11(19)16(23-17)31-7-13(20)21)24-32(27,28)15-6-22-14-4-10(2-3-25(14)15)18(26)8-30-9-18/h2-6,13,24,26H,7-9H2,1H3.
What are the key properties of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 474.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 170733443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).