N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

C18H18F2N4O4S — CID 58227721

About N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 58227721) has the molecular formula C18H18F2N4O4S and a molecular weight of 424.43 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
• PubChem CID: 58227721
• Molecular Formula: C18H18F2N4O4S
• Molecular Weight: 424.43 g/mol
• Exact Mass: 424.10
• IUPAC Name: N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]nc(OC)c3c2)c1F
• InChI: InChI=1S/C18H18F2N4O4S/c1-3-6-29(26,27)24-13-5-4-12(19)15(16(13)20)14(25)8-10-7-11-17(21-9-10)22-23-18(11)28-2/h4-5,7,9,24H,3,6,8H2,1-2H3,(H,21,22,23)
• InChIKey: SAMZIIYPEOGZQZ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (CID 58227721) is N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]nc(OC)c3c2)c1F.

What is the InChIKey of N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?

The InChIKey is SAMZIIYPEOGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4S/c1-3-6-29(26,27)24-13-5-4-12(19)15(16(13)20)14(25)8-10-7-11-17(21-9-10)22-23-18(11)28-2/h4-5,7,9,24H,3,6,8H2,1-2H3,(H,21,22,23).

What are the key properties of N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?

N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 424.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58227721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).