N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide

C18H17F3N4O4S — CID 59443821

IUPACN-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)Cc2cn3cc(-c4ccoc4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C18H17F3N4O4S/c1-30(27,28)23-14-8-24(9-14)16(26)5-13-7-25-6-12(11-2-3-29-10-11)4-15(17(25)22-13)18(19,20)21/h2-4,6-7,10,14,23H,5,8-9H2,1H3
InChIKeyHEYTUUAOUWGMDT-UHFFFAOYSA-N
MW442.42 g/mol
LogP1.92
Rot. Bonds5

About N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide

N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide (PubChem CID 59443821) has the molecular formula C18H17F3N4O4S and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide
PubChem CID59443821
Molecular FormulaC18H17F3N4O4S
Molecular Weight442.42 g/mol
Exact Mass442.09
IUPAC NameN-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)Cc2cn3cc(-c4ccoc4)cc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C18H17F3N4O4S/c1-30(27,28)23-14-8-24(9-14)16(26)5-13-7-25-6-12(11-2-3-29-10-11)4-15(17(25)22-13)18(19,20)21/h2-4,6-7,10,14,23H,5,8-9H2,1H3
InChIKeyHEYTUUAOUWGMDT-UHFFFAOYSA-N
XLogP1.92
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide (CID 59443821) is N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CN(C(=O)Cc2cn3cc(-c4ccoc4)cc(C(F)(F)F)c3n2)C1.
What is the InChIKey of N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide?
The InChIKey is HEYTUUAOUWGMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4S/c1-30(27,28)23-14-8-24(9-14)16(26)5-13-7-25-6-12(11-2-3-29-10-11)4-15(17(25)22-13)18(19,20)21/h2-4,6-7,10,14,23H,5,8-9H2,1H3.
What are the key properties of N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide?
N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide has a molecular weight of 442.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetyl]azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 59443821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).