N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline

C22H21N3O2S — CID 139886857

IUPACN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
SMILESCN(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-24(2)18-11-7-17(8-12-18)22-21(20-6-4-5-15-25(20)23-22)16-9-13-19(14-10-16)28(3,26)27/h4-15H,1-3H3
InChIKeyOXGBYHANVUFHFY-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.14
Rot. Bonds4

About N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline

N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline (PubChem CID 139886857) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
PubChem CID139886857
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
SMILESCN(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-24(2)18-11-7-17(8-12-18)22-21(20-6-4-5-15-25(20)23-22)16-9-13-19(14-10-16)28(3,26)27/h4-15H,1-3H3
InChIKeyOXGBYHANVUFHFY-UHFFFAOYSA-N
XLogP4.14
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
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
4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886752
3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 139886716
[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
CID 139886938
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
CID 139886808
4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N,N-dimethylaniline
CID 23194699
4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886659
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyridin-2-one
CID 11449070
3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 58784245

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline (CID 139886857) is N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline is CN(C)c1ccc(-c2nn3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline?
The InChIKey is OXGBYHANVUFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-24(2)18-11-7-17(8-12-18)22-21(20-6-4-5-15-25(20)23-22)16-9-13-19(14-10-16)28(3,26)27/h4-15H,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline?
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline has a molecular weight of 391.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline is sourced from PubChem (CID 139886857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).