N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide

C22H20N4O3S — CID 139886729

IUPACN-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-15(27)25(2)18-10-6-17(7-11-18)22-21(20-5-3-4-14-26(20)24-22)16-8-12-19(13-9-16)30(23,28)29/h3-14H,1-2H3,(H2,23,28,29)
InChIKeyWWJDCBNHMBTPPE-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide

N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide (PubChem CID 139886729) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
PubChem CID139886729
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-15(27)25(2)18-10-6-17(7-11-18)22-21(20-5-3-4-14-26(20)24-22)16-8-12-19(13-9-16)30(23,28)29/h3-14H,1-2H3,(H2,23,28,29)
InChIKeyWWJDCBNHMBTPPE-UHFFFAOYSA-N
XLogP3.30
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886752
4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886659
4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
CID 139886664
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
CID 139886808
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
N,6-dimethyl-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129781
4-[acetyl(dimethylamino)amino]benzenesulfonamide
CID 174362410
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 139886905
1-[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]ethanone
CID 15158135

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide (CID 139886729) is N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide is CC(=O)N(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide?
The InChIKey is WWJDCBNHMBTPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15(27)25(2)18-10-6-17(7-11-18)22-21(20-5-3-4-14-26(20)24-22)16-8-12-19(13-9-16)30(23,28)29/h3-14H,1-2H3,(H2,23,28,29).
What are the key properties of N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide?
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 139886729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).