6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C26H24F3N5O5S — CID 16659690

IUPAC6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cnn4cc(S(=O)(=O)N(C)C)ccc34)c2)cc1C(F)(F)F
InChIInChI=1S/C26H24F3N5O5S/c1-15-5-6-16(24(35)31-17-7-10-23(39-4)20(12-17)26(27,28)29)11-21(15)32-25(36)19-13-30-34-14-18(8-9-22(19)34)40(37,38)33(2)3/h5-14H,1-4H3,(H,31,35)(H,32,36)
InChIKeyCUFXCXRHYOZGHC-UHFFFAOYSA-N
MW575.57 g/mol
LogP4.43
Rot. Bonds7

About 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 16659690) has the molecular formula C26H24F3N5O5S and a molecular weight of 575.57 g/mol. Its IUPAC name is 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID16659690
Molecular FormulaC26H24F3N5O5S
Molecular Weight575.57 g/mol
Exact Mass575.15
IUPAC Name6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cnn4cc(S(=O)(=O)N(C)C)ccc34)c2)cc1C(F)(F)F
InChIInChI=1S/C26H24F3N5O5S/c1-15-5-6-16(24(35)31-17-7-10-23(39-4)20(12-17)26(27,28)29)11-21(15)32-25(36)19-13-30-34-14-18(8-9-22(19)34)40(37,38)33(2)3/h5-14H,1-4H3,(H,31,35)(H,32,36)
InChIKeyCUFXCXRHYOZGHC-UHFFFAOYSA-N
XLogP4.43
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 16659690) is 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cnn4cc(S(=O)(=O)N(C)C)ccc34)c2)cc1C(F)(F)F.
What is the InChIKey of 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CUFXCXRHYOZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O5S/c1-15-5-6-16(24(35)31-17-7-10-23(39-4)20(12-17)26(27,28)29)11-21(15)32-25(36)19-13-30-34-14-18(8-9-22(19)34)40(37,38)33(2)3/h5-14H,1-4H3,(H,31,35)(H,32,36).
What are the key properties of 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 575.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoyl)-N-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 16659690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).