N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H21N3O5S — CID 87074884

IUPACN-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C24H21N3O5S/c1-16(28)18-5-9-21(32-2)22(13-18)33(30,31)20-7-3-17(4-8-20)14-26-24(29)19-6-10-23-25-11-12-27(23)15-19/h3-13,15H,14H2,1-2H3,(H,26,29)
InChIKeyLSCXAMGZILUQHG-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.31
Rot. Bonds7

About N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 87074884) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID87074884
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C24H21N3O5S/c1-16(28)18-5-9-21(32-2)22(13-18)33(30,31)20-7-3-17(4-8-20)14-26-24(29)19-6-10-23-25-11-12-27(23)15-19/h3-13,15H,14H2,1-2H3,(H,26,29)
InChIKeyLSCXAMGZILUQHG-UHFFFAOYSA-N
XLogP3.31
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928452
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 146220988
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
N-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012461
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 87074884) is N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(C(C)=O)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.
What is the InChIKey of N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LSCXAMGZILUQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-16(28)18-5-9-21(32-2)22(13-18)33(30,31)20-7-3-17(4-8-20)14-26-24(29)19-6-10-23-25-11-12-27(23)15-19/h3-13,15H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 87074884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).