6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C16H20N8O3S — CID 166623688

IUPAC6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2c(C(=O)NCc3cccc4ncnn34)n[nH]c2C1
InChIInChI=1S/C16H20N8O3S/c1-22(2)28(26,27)23-7-6-12-13(9-23)20-21-15(12)16(25)17-8-11-4-3-5-14-18-10-19-24(11)14/h3-5,10H,6-9H2,1-2H3,(H,17,25)(H,20,21)
InChIKeyBEHRFHSJWWSGPT-UHFFFAOYSA-N
MW404.46 g/mol
LogP-0.45
Rot. Bonds5

About 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166623688) has the molecular formula C16H20N8O3S and a molecular weight of 404.46 g/mol. Its IUPAC name is 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166623688
Molecular FormulaC16H20N8O3S
Molecular Weight404.46 g/mol
Exact Mass404.14
IUPAC Name6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2c(C(=O)NCc3cccc4ncnn34)n[nH]c2C1
InChIInChI=1S/C16H20N8O3S/c1-22(2)28(26,27)23-7-6-12-13(9-23)20-21-15(12)16(25)17-8-11-4-3-5-14-18-10-19-24(11)14/h3-5,10H,6-9H2,1-2H3,(H,17,25)(H,20,21)
InChIKeyBEHRFHSJWWSGPT-UHFFFAOYSA-N
XLogP-0.45
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166623688) is 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CN(C)S(=O)(=O)N1CCc2c(C(=O)NCc3cccc4ncnn34)n[nH]c2C1.
What is the InChIKey of 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is BEHRFHSJWWSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3S/c1-22(2)28(26,27)23-7-6-12-13(9-23)20-21-15(12)16(25)17-8-11-4-3-5-14-18-10-19-24(11)14/h3-5,10H,6-9H2,1-2H3,(H,17,25)(H,20,21).
What are the key properties of 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 404.46 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166623688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).