3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C18H11ClF3N3O2S — CID 25189934

IUPAC3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C18H11ClF3N3O2S/c19-15-14(17(26)23-8-11-3-2-6-28-11)24-16-12(18(20,21)22)7-10(9-25(15)16)13-4-1-5-27-13/h1-7,9H,8H2,(H,23,26)
InChIKeyGIXOSRGWEJUQSX-UHFFFAOYSA-N
MW425.82 g/mol
LogP5.26
Rot. Bonds4

About 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25189934) has the molecular formula C18H11ClF3N3O2S and a molecular weight of 425.82 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25189934
Molecular FormulaC18H11ClF3N3O2S
Molecular Weight425.82 g/mol
Exact Mass425.02
IUPAC Name3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C18H11ClF3N3O2S/c19-15-14(17(26)23-8-11-3-2-6-28-11)24-16-12(18(20,21)22)7-10(9-25(15)16)13-4-1-5-27-13/h1-7,9H,8H2,(H,23,26)
InChIKeyGIXOSRGWEJUQSX-UHFFFAOYSA-N
XLogP5.26
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25189934) is 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GIXOSRGWEJUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2S/c19-15-14(17(26)23-8-11-3-2-6-28-11)24-16-12(18(20,21)22)7-10(9-25(15)16)13-4-1-5-27-13/h1-7,9H,8H2,(H,23,26).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25189934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).