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

C25H21N3O3S — CID 139886664

IUPAC4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(O)cc3)nn3ccccc23)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-6-7-18(2)28(17)32(30,31)22-14-10-19(11-15-22)24-23-5-3-4-16-27(23)26-25(24)20-8-12-21(29)13-9-20/h3-16,29H,1-2H3
InChIKeyNHUKXQVQJNCYHA-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.03
Rot. Bonds4

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

4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol (PubChem CID 139886664) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
PubChem CID139886664
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
SMILESCc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(O)cc3)nn3ccccc23)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-6-7-18(2)28(17)32(30,31)22-14-10-19(11-15-22)24-23-5-3-4-16-27(23)26-25(24)20-8-12-21(29)13-9-20/h3-16,29H,1-2H3
InChIKeyNHUKXQVQJNCYHA-UHFFFAOYSA-N
XLogP5.03
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 139886905
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
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886659
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyridin-2-one
CID 11449070
[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
CID 139886938
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
CID 135693305

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol (CID 139886664) is 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol is Cc1ccc(C)n1S(=O)(=O)c1ccc(-c2c(-c3ccc(O)cc3)nn3ccccc23)cc1.
What is the InChIKey of 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The InChIKey is NHUKXQVQJNCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-17-6-7-18(2)28(17)32(30,31)22-14-10-19(11-15-22)24-23-5-3-4-16-27(23)26-25(24)20-8-12-21(29)13-9-20/h3-16,29H,1-2H3.
What are the key properties of 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol has a molecular weight of 443.53 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol is sourced from PubChem (CID 139886664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).