N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide

C19H14F3N3O2S — CID 46865005

IUPACN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1cccs1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)15-8-13(12-4-6-27-11-12)9-25-10-14(24-17(15)25)3-5-23-18(26)16-2-1-7-28-16/h1-2,4,6-11H,3,5H2,(H,23,26)
InChIKeyLWMTZFBOGXQMCG-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.65
Rot. Bonds5

About N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 46865005) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID46865005
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1cccs1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)15-8-13(12-4-6-27-11-12)9-25-10-14(24-17(15)25)3-5-23-18(26)16-2-1-7-28-16/h1-2,4,6-11H,3,5H2,(H,23,26)
InChIKeyLWMTZFBOGXQMCG-UHFFFAOYSA-N
XLogP4.65
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide (CID 46865005) is N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1cccs1.
What is the InChIKey of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is LWMTZFBOGXQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)15-8-13(12-4-6-27-11-12)9-25-10-14(24-17(15)25)3-5-23-18(26)16-2-1-7-28-16/h1-2,4,6-11H,3,5H2,(H,23,26).
What are the key properties of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46865005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).