5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine

C23H20N2O4S2 — CID 122193260

IUPAC5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1
InChIInChI=1S/C23H20N2O4S2/c1-30(26,27)19-7-5-16(6-8-19)22-15-24-25-12-11-18(14-23(22)25)17-3-2-4-21(13-17)31(28,29)20-9-10-20/h2-8,11-15,20H,9-10H2,1H3
InChIKeyBQDDSWFSIPPWHN-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.01
Rot. Bonds5

About 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine

5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine (PubChem CID 122193260) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
PubChem CID122193260
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC Name5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1
InChIInChI=1S/C23H20N2O4S2/c1-30(26,27)19-7-5-16(6-8-19)22-15-24-25-12-11-18(14-23(22)25)17-3-2-4-21(13-17)31(28,29)20-9-10-20/h2-8,11-15,20H,9-10H2,1H3
InChIKeyBQDDSWFSIPPWHN-UHFFFAOYSA-N
XLogP4.01
TPSA85.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine (CID 122193260) is 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1.
What is the InChIKey of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is BQDDSWFSIPPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-30(26,27)19-7-5-16(6-8-19)22-15-24-25-12-11-18(14-23(22)25)17-3-2-4-21(13-17)31(28,29)20-9-10-20/h2-8,11-15,20H,9-10H2,1H3.
What are the key properties of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 452.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 122193260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).