5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide

C24H24ClFN6O5S — CID 171465660

About 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 171465660) has the molecular formula C24H24ClFN6O5S and a molecular weight of 563.01 g/mol. Its IUPAC name is 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 171465660
• Molecular Formula: C24H24ClFN6O5S
• Molecular Weight: 563.01 g/mol
• Exact Mass: 562.12
• IUPAC Name: 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnc3c(c2)c(C)nn3C2CCCCO2)n1
• InChI: InChI=1S/C24H24ClFN6O5S/c1-14-17-10-16(12-27-23(17)32(30-14)22-5-3-4-8-36-22)37-13-19-18(26)6-7-21(29-19)31-38(33,34)20-9-15(25)11-28-24(20)35-2/h6-7,9-12,22H,3-5,8,13H2,1-2H3,(H,29,31)
• InChIKey: VSPRCXKKZYGNCI-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 130.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.01
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The IUPAC name of 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 171465660) is 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnc3c(c2)c(C)nn3C2CCCCO2)n1.

What is the InChIKey of 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The InChIKey is VSPRCXKKZYGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O5S/c1-14-17-10-16(12-27-23(17)32(30-14)22-5-3-4-8-36-22)37-13-19-18(26)6-7-21(29-19)31-38(33,34)20-9-15(25)11-28-24(20)35-2/h6-7,9-12,22H,3-5,8,13H2,1-2H3,(H,29,31).

What are the key properties of 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide?

5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 563.01 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[5-fluoro-6-[[3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 171465660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).