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

C17H18F2N6O4S — CID 67088874

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

2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide (PubChem CID 67088874) has the molecular formula C17H18F2N6O4S and a molecular weight of 440.43 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide
• PubChem CID: 67088874
• Molecular Formula: C17H18F2N6O4S
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.11
• IUPAC Name: 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide
• SMILES: CCCN(c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F)S(N)(=O)=O
• InChI: InChI=1S/C17H18F2N6O4S/c1-3-6-25(30(20,27)28)12-5-4-11(18)13(14(12)19)16(26)22-9-7-10-15(21-8-9)23-24-17(10)29-2/h4-5,7-8H,3,6H2,1-2H3,(H,22,26)(H2,20,27,28)(H,21,23,24)
• InChIKey: RWLDRISCIPURMK-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 143.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide (CID 67088874) is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide.

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

The canonical SMILES for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide is CCCN(c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F)S(N)(=O)=O.

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

The InChIKey is RWLDRISCIPURMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O4S/c1-3-6-25(30(20,27)28)12-5-4-11(18)13(14(12)19)16(26)22-9-7-10-15(21-8-9)23-24-17(10)29-2/h4-5,7-8H,3,6H2,1-2H3,(H,22,26)(H2,20,27,28)(H,21,23,24).

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

2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide has a molecular weight of 440.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide is sourced from PubChem (CID 67088874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).