3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine

C25H22N4O2S — CID 139886808

IUPAC3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cn1
InChIInChI=1S/C25H22N4O2S/c1-17-7-10-21(16-26-17)25-24(23-6-4-5-15-28(23)27-25)20-11-13-22(14-12-20)32(30,31)29-18(2)8-9-19(29)3/h4-16H,1-3H3
InChIKeyPCUMBIONGQDLBE-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.03
Rot. Bonds4

About 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine

3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine (PubChem CID 139886808) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
PubChem CID139886808
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cn1
InChIInChI=1S/C25H22N4O2S/c1-17-7-10-21(16-26-17)25-24(23-6-4-5-15-28(23)27-25)20-11-13-22(14-12-20)32(30,31)29-18(2)8-9-19(29)3/h4-16H,1-3H3
InChIKeyPCUMBIONGQDLBE-UHFFFAOYSA-N
XLogP5.03
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
CID 139886664
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 139886905
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925
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
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 18184550
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181944
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886871

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine (CID 139886808) is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine is Cc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cn1.
What is the InChIKey of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The InChIKey is PCUMBIONGQDLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-17-7-10-21(16-26-17)25-24(23-6-4-5-15-28(23)27-25)20-11-13-22(14-12-20)32(30,31)29-18(2)8-9-19(29)3/h4-16H,1-3H3.
What are the key properties of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine?
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine has a molecular weight of 442.54 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139886808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).