N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide

C18H16BrF3N4O4S — CID 46864545

IUPACN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C18H16BrF3N4O4S/c1-2-31(28,29)24-12-6-26(7-12)17(27)14-8-25-5-10(11-4-15(19)30-9-11)3-13(16(25)23-14)18(20,21)22/h3-5,8-9,12,24H,2,6-7H2,1H3
InChIKeyFSAFZNQWCXVPFG-UHFFFAOYSA-N
MW521.32 g/mol
LogP3.14
Rot. Bonds5

About N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide

N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide (PubChem CID 46864545) has the molecular formula C18H16BrF3N4O4S and a molecular weight of 521.32 g/mol. Its IUPAC name is N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide
PubChem CID46864545
Molecular FormulaC18H16BrF3N4O4S
Molecular Weight521.32 g/mol
Exact Mass520.00
IUPAC NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C18H16BrF3N4O4S/c1-2-31(28,29)24-12-6-26(7-12)17(27)14-8-25-5-10(11-4-15(19)30-9-11)3-13(16(25)23-14)18(20,21)22/h3-5,8-9,12,24H,2,6-7H2,1H3
InChIKeyFSAFZNQWCXVPFG-UHFFFAOYSA-N
XLogP3.14
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide (CID 46864545) is N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.
What is the InChIKey of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide?
The InChIKey is FSAFZNQWCXVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N4O4S/c1-2-31(28,29)24-12-6-26(7-12)17(27)14-8-25-5-10(11-4-15(19)30-9-11)3-13(16(25)23-14)18(20,21)22/h3-5,8-9,12,24H,2,6-7H2,1H3.
What are the key properties of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide?
N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide has a molecular weight of 521.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 46864545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).