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

C18H11ClF3N3O3 — CID 25189990

IUPAC3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccoc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C18H11ClF3N3O3/c19-15-14(17(26)23-7-10-3-5-27-9-10)24-16-12(18(20,21)22)6-11(8-25(15)16)13-2-1-4-28-13/h1-6,8-9H,7H2,(H,23,26)
InChIKeyBXNAQKLLHNMUGQ-UHFFFAOYSA-N
MW409.75 g/mol
LogP4.79
Rot. Bonds4

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

3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25189990) has the molecular formula C18H11ClF3N3O3 and a molecular weight of 409.75 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25189990
Molecular FormulaC18H11ClF3N3O3
Molecular Weight409.75 g/mol
Exact Mass409.04
IUPAC Name3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccoc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C18H11ClF3N3O3/c19-15-14(17(26)23-7-10-3-5-27-9-10)24-16-12(18(20,21)22)6-11(8-25(15)16)13-2-1-4-28-13/h1-6,8-9H,7H2,(H,23,26)
InChIKeyBXNAQKLLHNMUGQ-UHFFFAOYSA-N
XLogP4.79
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.75
LogP ≤ 54.79
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-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25189990) is 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccoc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BXNAQKLLHNMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O3/c19-15-14(17(26)23-7-10-3-5-27-9-10)24-16-12(18(20,21)22)6-11(8-25(15)16)13-2-1-4-28-13/h1-6,8-9H,7H2,(H,23,26).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 409.75 g/mol, XLogP of 4.79, 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-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25189990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).