3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C16H16F2N6O4S — CID 56658296

About 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56658296) has the molecular formula C16H16F2N6O4S and a molecular weight of 426.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

• Compound Name: 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
• PubChem CID: 56658296
• Molecular Formula: C16H16F2N6O4S
• Molecular Weight: 426.41 g/mol
• Exact Mass: 426.09
• IUPAC Name: 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
• SMILES: COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)N(C)C)c3F)cc12
• InChI: InChI=1S/C16H16F2N6O4S/c1-24(2)29(26,27)23-11-5-4-10(17)12(13(11)18)15(25)20-8-6-9-14(19-7-8)21-22-16(9)28-3/h4-7,23H,1-3H3,(H,20,25)(H,19,21,22)
• InChIKey: HOXNWDDOGXZKIW-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.41
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?

The IUPAC name of 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56658296) is 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

What is the SMILES notation for 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?

The canonical SMILES for 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)N(C)C)c3F)cc12.

What is the InChIKey of 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?

The InChIKey is HOXNWDDOGXZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O4S/c1-24(2)29(26,27)23-11-5-4-10(17)12(13(11)18)15(25)20-8-6-9-14(19-7-8)21-22-16(9)28-3/h4-7,23H,1-3H3,(H,20,25)(H,19,21,22).

What are the key properties of 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?

3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 426.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56658296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).