N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide

C21H17ClN4O4S — CID 146220988

IUPACN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cn3ccnc3cn2)cc1
InChIInChI=1S/C21H17ClN4O4S/c1-30-18-10-15(22)4-7-19(18)31(28,29)16-5-2-14(3-6-16)11-25-21(27)17-13-26-9-8-23-20(26)12-24-17/h2-10,12-13H,11H2,1H3,(H,25,27)
InChIKeyYSJNWKQQBVZBDX-UHFFFAOYSA-N
MW456.91 g/mol
LogP3.15
Rot. Bonds6

About N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 146220988) has the molecular formula C21H17ClN4O4S and a molecular weight of 456.91 g/mol. Its IUPAC name is N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID146220988
Molecular FormulaC21H17ClN4O4S
Molecular Weight456.91 g/mol
Exact Mass456.07
IUPAC NameN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cn3ccnc3cn2)cc1
InChIInChI=1S/C21H17ClN4O4S/c1-30-18-10-15(22)4-7-19(18)31(28,29)16-5-2-14(3-6-16)11-25-21(27)17-13-26-9-8-23-20(26)12-24-17/h2-10,12-13H,11H2,1H3,(H,25,27)
InChIKeyYSJNWKQQBVZBDX-UHFFFAOYSA-N
XLogP3.15
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 87074884
4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928452
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163929936
N-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012461
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
4-[(3-chlorophenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928346
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 146220988) is N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide is COc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cn3ccnc3cn2)cc1.
What is the InChIKey of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YSJNWKQQBVZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4S/c1-30-18-10-15(22)4-7-19(18)31(28,29)16-5-2-14(3-6-16)11-25-21(27)17-13-26-9-8-23-20(26)12-24-17/h2-10,12-13H,11H2,1H3,(H,25,27).
What are the key properties of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 146220988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).