3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile

C21H15N3O2S — CID 139886716

IUPAC3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(C#N)ccc23)cc1
InChIInChI=1S/C21H15N3O2S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(13-22)14-24(19)23-21(20)17-5-3-2-4-6-17/h2-12,14H,1H3
InChIKeyVGQDNKHYGKNHNB-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.94
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile

3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 139886716) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID139886716
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(C#N)ccc23)cc1
InChIInChI=1S/C21H15N3O2S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(13-22)14-24(19)23-21(20)17-5-3-2-4-6-17/h2-12,14H,1H3
InChIKeyVGQDNKHYGKNHNB-UHFFFAOYSA-N
XLogP3.94
TPSA75.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
CID 139886938
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
6-fluoro-2,3-diphenylpyrazolo[1,5-a]pyridine
CID 164668697
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
CID 22562342
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carbonitrile
CID 19041436
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925
2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 19355646
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886752
benzene-1,3-dicarboxylic acid;4-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 174285445
2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
CID 11464150

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile (CID 139886716) is 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile is CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(C#N)ccc23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is VGQDNKHYGKNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(13-22)14-24(19)23-21(20)17-5-3-2-4-6-17/h2-12,14H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile?
3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 373.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 139886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).