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

C26H22FN3O3S — CID 139886662

IUPAC3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cc1F
InChIInChI=1S/C26H22FN3O3S/c1-17-7-8-18(2)30(17)34(31,32)21-12-9-19(10-13-21)25-23-6-4-5-15-29(23)28-26(25)20-11-14-24(33-3)22(27)16-20/h4-16H,1-3H3
InChIKeyKIGKLCPJDBOXAL-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.47
Rot. Bonds5

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

3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine (PubChem CID 139886662) has the molecular formula C26H22FN3O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine
PubChem CID139886662
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC Name3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cc1F
InChIInChI=1S/C26H22FN3O3S/c1-17-7-8-18(2)30(17)34(31,32)21-12-9-19(10-13-21)25-23-6-4-5-15-29(23)28-26(25)20-11-14-24(33-3)22(27)16-20/h4-16H,1-3H3
InChIKeyKIGKLCPJDBOXAL-UHFFFAOYSA-N
XLogP5.47
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine (CID 139886662) is 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine is COc1ccc(-c2nn3ccccc3c2-c2ccc(S(=O)(=O)n3c(C)ccc3C)cc2)cc1F.
What is the InChIKey of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is KIGKLCPJDBOXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3S/c1-17-7-8-18(2)30(17)34(31,32)21-12-9-19(10-13-21)25-23-6-4-5-15-29(23)28-26(25)20-11-14-24(33-3)22(27)16-20/h4-16H,1-3H3.
What are the key properties of 3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine?
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 475.55 g/mol, XLogP of 5.47, 5 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-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139886662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).