N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide

C19H18ClF3N4O4S — CID 59443937

IUPACN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C19H18ClF3N4O4S/c1-32(29,30)25-13-2-5-26(6-3-13)18(28)15-16(20)27-9-12(11-4-7-31-10-11)8-14(17(27)24-15)19(21,22)23/h4,7-10,13,25H,2-3,5-6H2,1H3
InChIKeyJQHOELOTBPQNFF-UHFFFAOYSA-N
MW490.89 g/mol
LogP3.42
Rot. Bonds4

About N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 59443937) has the molecular formula C19H18ClF3N4O4S and a molecular weight of 490.89 g/mol. Its IUPAC name is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID59443937
Molecular FormulaC19H18ClF3N4O4S
Molecular Weight490.89 g/mol
Exact Mass490.07
IUPAC NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C19H18ClF3N4O4S/c1-32(29,30)25-13-2-5-26(6-3-13)18(28)15-16(20)27-9-12(11-4-7-31-10-11)8-14(17(27)24-15)19(21,22)23/h4,7-10,13,25H,2-3,5-6H2,1H3
InChIKeyJQHOELOTBPQNFF-UHFFFAOYSA-N
XLogP3.42
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide (CID 59443937) is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.
What is the InChIKey of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is JQHOELOTBPQNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O4S/c1-32(29,30)25-13-2-5-26(6-3-13)18(28)15-16(20)27-9-12(11-4-7-31-10-11)8-14(17(27)24-15)19(21,22)23/h4,7-10,13,25H,2-3,5-6H2,1H3.
What are the key properties of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 490.89 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 59443937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).