4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

C28H33N7O3S — CID 59186510

IUPAC4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C28H33N7O3S/c1-28(2,3)34-39(37,38)23-7-4-6-20(18-23)24-8-5-9-25-32-27(33-35(24)25)31-21-12-10-19(11-13-21)26(36)30-22-14-16-29-17-15-22/h4-13,18,22,29,34H,14-17H2,1-3H3,(H,30,36)(H,31,33)
InChIKeyJYYQIQSKDPQWHF-UHFFFAOYSA-N
MW547.69 g/mol
LogP3.70
Rot. Bonds7

About 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 59186510) has the molecular formula C28H33N7O3S and a molecular weight of 547.69 g/mol. Its IUPAC name is 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID59186510
Molecular FormulaC28H33N7O3S
Molecular Weight547.69 g/mol
Exact Mass547.24
IUPAC Name4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C28H33N7O3S/c1-28(2,3)34-39(37,38)23-7-4-6-20(18-23)24-8-5-9-25-32-27(33-35(24)25)31-21-12-10-19(11-13-21)26(36)30-22-14-16-29-17-15-22/h4-13,18,22,29,34H,14-17H2,1-3H3,(H,30,36)(H,31,33)
InChIKeyJYYQIQSKDPQWHF-UHFFFAOYSA-N
XLogP3.70
TPSA129.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.69
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 59186510) is 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)c1.
What is the InChIKey of 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is JYYQIQSKDPQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3S/c1-28(2,3)34-39(37,38)23-7-4-6-20(18-23)24-8-5-9-25-32-27(33-35(24)25)31-21-12-10-19(11-13-21)26(36)30-22-14-16-29-17-15-22/h4-13,18,22,29,34H,14-17H2,1-3H3,(H,30,36)(H,31,33).
What are the key properties of 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 547.69 g/mol, XLogP of 3.70, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 59186510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).