N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide

C24H26FN7O4S — CID 146357214

About N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide

N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide (PubChem CID 146357214) has the molecular formula C24H26FN7O4S and a molecular weight of 527.58 g/mol. Its IUPAC name is N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide.

Molecular Properties

• Compound Name: N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide
• PubChem CID: 146357214
• Molecular Formula: C24H26FN7O4S
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.18
• IUPAC Name: N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(S(=O)(=O)NCCNC=O)CC4)n[nH]c2c1
• InChI: InChI=1S/C24H26FN7O4S/c1-2-14-10-22(34)18(25)11-17(14)15-3-4-16-20(9-15)30-31-23(16)24-28-19-5-8-32(12-21(19)29-24)37(35,36)27-7-6-26-13-33/h3-4,9-11,13,27,34H,2,5-8,12H2,1H3,(H,26,33)(H,28,29)(H,30,31)
• InChIKey: FRZWUMCUBVWGJC-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 156.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide (CID 146357214) is N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide.

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

The canonical SMILES for N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(S(=O)(=O)NCCNC=O)CC4)n[nH]c2c1.

What is the InChIKey of N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide?

The InChIKey is FRZWUMCUBVWGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O4S/c1-2-14-10-22(34)18(25)11-17(14)15-3-4-16-20(9-15)30-31-23(16)24-28-19-5-8-32(12-21(19)29-24)37(35,36)27-7-6-26-13-33/h3-4,9-11,13,27,34H,2,5-8,12H2,1H3,(H,26,33)(H,28,29)(H,30,31).

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

N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide has a molecular weight of 527.58 g/mol, XLogP of 1.97, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide is sourced from PubChem (CID 146357214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).