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

C41H33N5O2S — CID 139886905

IUPAC3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nn3ccccc23)cc1
InChIInChI=1S/C41H33N5O2S/c1-30-21-22-31(2)46(30)49(47,48)37-25-23-32(24-26-37)39-38-20-12-13-27-44(38)43-40(39)33-28-42-45(29-33)41(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36/h3-29H,1-2H3
InChIKeySPFGYSDHGOWXAZ-UHFFFAOYSA-N
MW659.82 g/mol
LogP8.36
Rot. Bonds8

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

3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 139886905) has the molecular formula C41H33N5O2S and a molecular weight of 659.82 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID139886905
Molecular FormulaC41H33N5O2S
Molecular Weight659.82 g/mol
Exact Mass659.24
IUPAC Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nn3ccccc23)cc1
InChIInChI=1S/C41H33N5O2S/c1-30-21-22-31(2)46(30)49(47,48)37-25-23-32(24-26-37)39-38-20-12-13-27-44(38)43-40(39)33-28-42-45(29-33)41(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36/h3-29H,1-2H3
InChIKeySPFGYSDHGOWXAZ-UHFFFAOYSA-N
XLogP8.36
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.82
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
CID 139886808
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
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886659
1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 10416758
2-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 69222549
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyridin-2-one
CID 11449070

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 139886905) is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nn3ccccc23)cc1.
What is the InChIKey of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is SPFGYSDHGOWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N5O2S/c1-30-21-22-31(2)46(30)49(47,48)37-25-23-32(24-26-37)39-38-20-12-13-27-44(38)43-40(39)33-28-42-45(29-33)41(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36/h3-29H,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 659.82 g/mol, XLogP of 8.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139886905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).