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

C17H14BrF3N4O4S — CID 46864544

IUPACN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C17H14BrF3N4O4S/c1-30(27,28)23-11-5-25(6-11)16(26)13-7-24-4-9(10-3-14(18)29-8-10)2-12(15(24)22-13)17(19,20)21/h2-4,7-8,11,23H,5-6H2,1H3
InChIKeyQWPMUJJGLSXFRE-UHFFFAOYSA-N
MW507.29 g/mol
LogP2.75
Rot. Bonds4

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

N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide (PubChem CID 46864544) has the molecular formula C17H14BrF3N4O4S and a molecular weight of 507.29 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]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
PubChem CID46864544
Molecular FormulaC17H14BrF3N4O4S
Molecular Weight507.29 g/mol
Exact Mass505.99
IUPAC NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C17H14BrF3N4O4S/c1-30(27,28)23-11-5-25(6-11)16(26)13-7-24-4-9(10-3-14(18)29-8-10)2-12(15(24)22-13)17(19,20)21/h2-4,7-8,11,23H,5-6H2,1H3
InChIKeyQWPMUJJGLSXFRE-UHFFFAOYSA-N
XLogP2.75
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.29
LogP ≤ 52.75
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]methanesulfonamide?
The IUPAC name of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide (CID 46864544) is N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide.
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]methanesulfonamide?
The canonical SMILES for N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide is CS(=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]methanesulfonamide?
The InChIKey is QWPMUJJGLSXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N4O4S/c1-30(27,28)23-11-5-25(6-11)16(26)13-7-24-4-9(10-3-14(18)29-8-10)2-12(15(24)22-13)17(19,20)21/h2-4,7-8,11,23H,5-6H2,1H3.
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]methanesulfonamide?
N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide has a molecular weight of 507.29 g/mol, XLogP of 2.75, 4 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]methanesulfonamide is sourced from PubChem (CID 46864544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).