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

C19H16BrF3N4O4S — CID 46864546

IUPACN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide
SMILESO=C(c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1)N1CC(NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C19H16BrF3N4O4S/c20-16-4-11(9-31-16)10-3-14(19(21,22)23)17-24-15(8-26(17)5-10)18(28)27-6-12(7-27)25-32(29,30)13-1-2-13/h3-5,8-9,12-13,25H,1-2,6-7H2
InChIKeyLMTRFUDVYYEHCD-UHFFFAOYSA-N
MW533.33 g/mol
LogP3.28
Rot. Bonds5

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

N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide (PubChem CID 46864546) has the molecular formula C19H16BrF3N4O4S and a molecular weight of 533.33 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]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide
PubChem CID46864546
Molecular FormulaC19H16BrF3N4O4S
Molecular Weight533.33 g/mol
Exact Mass532.00
IUPAC NameN-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide
SMILESO=C(c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1)N1CC(NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C19H16BrF3N4O4S/c20-16-4-11(9-31-16)10-3-14(19(21,22)23)17-24-15(8-26(17)5-10)18(28)27-6-12(7-27)25-32(29,30)13-1-2-13/h3-5,8-9,12-13,25H,1-2,6-7H2
InChIKeyLMTRFUDVYYEHCD-UHFFFAOYSA-N
XLogP3.28
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.33
LogP ≤ 53.28
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]cyclopropanesulfonamide?
The IUPAC name of N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide (CID 46864546) is N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide.
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]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide is O=C(c1cn2cc(-c3coc(Br)c3)cc(C(F)(F)F)c2n1)N1CC(NS(=O)(=O)C2CC2)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]cyclopropanesulfonamide?
The InChIKey is LMTRFUDVYYEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O4S/c20-16-4-11(9-31-16)10-3-14(19(21,22)23)17-24-15(8-26(17)5-10)18(28)27-6-12(7-27)25-32(29,30)13-1-2-13/h3-5,8-9,12-13,25H,1-2,6-7H2.
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]cyclopropanesulfonamide?
N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]cyclopropanesulfonamide has a molecular weight of 533.33 g/mol, XLogP of 3.28, 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]cyclopropanesulfonamide is sourced from PubChem (CID 46864546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).