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

C26H21F2N3O3S — CID 139886712

IUPAC2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ccccc23)cc1
InChIInChI=1S/C26H21F2N3O3S/c1-17-6-7-18(2)31(17)35(32,33)22-14-10-19(11-15-22)24-23-5-3-4-16-30(23)29-25(24)20-8-12-21(13-9-20)34-26(27)28/h3-16,26H,1-2H3
InChIKeyJVUCZLDHUCPDBZ-UHFFFAOYSA-N
MW493.54 g/mol
LogP5.93
Rot. Bonds6

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

2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine (PubChem CID 139886712) has the molecular formula C26H21F2N3O3S and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine
PubChem CID139886712
Molecular FormulaC26H21F2N3O3S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ccccc23)cc1
InChIInChI=1S/C26H21F2N3O3S/c1-17-6-7-18(2)31(17)35(32,33)22-14-10-19(11-15-22)24-23-5-3-4-16-30(23)29-25(24)20-8-12-21(13-9-20)34-26(27)28/h3-16,26H,1-2H3
InChIKeyJVUCZLDHUCPDBZ-UHFFFAOYSA-N
XLogP5.93
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine (CID 139886712) is 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine is Cc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ccccc23)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is JVUCZLDHUCPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O3S/c1-17-6-7-18(2)31(17)35(32,33)22-14-10-19(11-15-22)24-23-5-3-4-16-30(23)29-25(24)20-8-12-21(13-9-20)34-26(27)28/h3-16,26H,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine?
2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 493.54 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139886712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).