N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H18FN3O4S — CID 56943155

IUPACN-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H18FN3O4S/c23-18-5-3-17(14-27)20(11-18)31(29,30)19-6-1-15(2-7-19)12-25-22(28)16-4-8-21-24-9-10-26(21)13-16/h1-11,13,27H,12,14H2,(H,25,28)
InChIKeyZBUGRDUICBKJDO-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.73
Rot. Bonds6

About N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 56943155) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID56943155
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC NameN-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H18FN3O4S/c23-18-5-3-17(14-27)20(11-18)31(29,30)19-6-1-15(2-7-19)12-25-22(28)16-4-8-21-24-9-10-26(21)13-16/h1-11,13,27H,12,14H2,(H,25,28)
InChIKeyZBUGRDUICBKJDO-UHFFFAOYSA-N
XLogP2.73
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 56943155) is N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZBUGRDUICBKJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c23-18-5-3-17(14-27)20(11-18)31(29,30)19-6-1-15(2-7-19)12-25-22(28)16-4-8-21-24-9-10-26(21)13-16/h1-11,13,27H,12,14H2,(H,25,28).
What are the key properties of N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 56943155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).