N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

C18H14FN3O3S — CID 72874953

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C18H14FN3O3S/c19-14-4-1-12(2-5-14)16-10-22-9-13(3-6-17(22)21-16)18(23)20-15-7-8-26(24,25)11-15/h1-10,15H,11H2,(H,20,23)
InChIKeyJMLIZLQIQIPQMV-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.18
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 72874953) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID72874953
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C18H14FN3O3S/c19-14-4-1-12(2-5-14)16-10-22-9-13(3-6-17(22)21-16)18(23)20-15-7-8-26(24,25)11-15/h1-10,15H,11H2,(H,20,23)
InChIKeyJMLIZLQIQIPQMV-UHFFFAOYSA-N
XLogP2.18
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 72874953) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NC1C=CS(=O)(=O)C1)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JMLIZLQIQIPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-14-4-1-12(2-5-14)16-10-22-9-13(3-6-17(22)21-16)18(23)20-15-7-8-26(24,25)11-15/h1-10,15H,11H2,(H,20,23).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 72874953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).