N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide

C26H29FN6O3S — CID 167277819

About N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide

N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide (PubChem CID 167277819) has the molecular formula C26H29FN6O3S and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide
• PubChem CID: 167277819
• Molecular Formula: C26H29FN6O3S
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.20
• IUPAC Name: N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide
• SMILES: CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CCNS(C)(=O)=O)CC4)[nH]3)[nH]nc2c1F
• InChI: InChI=1S/C26H29FN6O3S/c1-3-16-14-18(34)4-5-19(16)20-6-7-21-24(23(20)27)31-32-25(21)26-28-15-22(30-26)17-8-11-33(12-9-17)13-10-29-37(2,35)36/h4-8,14-15,29,34H,3,9-13H2,1-2H3,(H,28,30)(H,31,32)
• InChIKey: FVVFEKZNPSFWKO-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 127.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide (CID 167277819) is N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CCNS(C)(=O)=O)CC4)[nH]3)[nH]nc2c1F.

What is the InChIKey of N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide?

The InChIKey is FVVFEKZNPSFWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3S/c1-3-16-14-18(34)4-5-19(16)20-6-7-21-24(23(20)27)31-32-25(21)26-28-15-22(30-26)17-8-11-33(12-9-17)13-10-29-37(2,35)36/h4-8,14-15,29,34H,3,9-13H2,1-2H3,(H,28,30)(H,31,32).

What are the key properties of N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide?

N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide has a molecular weight of 524.62 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 167277819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).