N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

C22H15FN8O3S — CID 166048087

About N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 166048087) has the molecular formula C22H15FN8O3S and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 166048087
• Molecular Formula: C22H15FN8O3S
• Molecular Weight: 490.48 g/mol
• Exact Mass: 490.10
• IUPAC Name: N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncccc1S(=O)(=O)Nc1ccnc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N
• InChI: InChI=1S/C22H15FN8O3S/c1-34-22-16(3-2-7-28-22)35(32,33)31-15-6-8-25-18(14(15)11-24)12-4-5-13-19(17(12)23)29-30-20(13)21-26-9-10-27-21/h2-10H,1H3,(H,25,31)(H,26,27)(H,29,30)
• InChIKey: VCBZYBMAUONBKG-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 162.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.48
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The IUPAC name of N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 166048087) is N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncccc1S(=O)(=O)Nc1ccnc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N.

What is the InChIKey of N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?

The InChIKey is VCBZYBMAUONBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN8O3S/c1-34-22-16(3-2-7-28-22)35(32,33)31-15-6-8-25-18(14(15)11-24)12-4-5-13-19(17(12)23)29-30-20(13)21-26-9-10-27-21/h2-10H,1H3,(H,25,31)(H,26,27)(H,29,30).

What are the key properties of N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?

N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 490.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-2-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 166048087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).