4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide

C23H21N5O2S — CID 118200679

IUPAC4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)c3cc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C23H21N5O2S/c1-23(2,3)18-7-9-19(10-8-18)31(29,30)27-22-11-6-16(14-24)21-13-20(26-28(21)22)17-5-4-12-25-15-17/h4-13,15,27H,1-3H3
InChIKeyGTRGKDYGXAAOES-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.37
Rot. Bonds4

About 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide

4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide (PubChem CID 118200679) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
PubChem CID118200679
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)c3cc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C23H21N5O2S/c1-23(2,3)18-7-9-19(10-8-18)31(29,30)27-22-11-6-16(14-24)21-13-20(26-28(21)22)17-5-4-12-25-15-17/h4-13,15,27H,1-3H3
InChIKeyGTRGKDYGXAAOES-UHFFFAOYSA-N
XLogP4.37
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide (CID 118200679) is 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)c3cc(-c4cccnc4)nn23)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide?
The InChIKey is GTRGKDYGXAAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-23(2,3)18-7-9-19(10-8-18)31(29,30)27-22-11-6-16(14-24)21-13-20(26-28(21)22)17-5-4-12-25-15-17/h4-13,15,27H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide?
4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide has a molecular weight of 431.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide is sourced from PubChem (CID 118200679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).