N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide

C26H27FN6O5 — CID 155092876

About N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide

N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide (PubChem CID 155092876) has the molecular formula C26H27FN6O5 and a molecular weight of 522.54 g/mol. Its IUPAC name is N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide
• PubChem CID: 155092876
• Molecular Formula: C26H27FN6O5
• Molecular Weight: 522.54 g/mol
• Exact Mass: 522.20
• IUPAC Name: N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide
• SMILES: O=C(COc1cc(F)c2cn[nH]c2c1)NC12CCC(NC(=O)COc3ccc4cn[nH]c4c3)(CC1)C(O)C2
• InChI: InChI=1S/C26H27FN6O5/c27-19-7-17(9-21-18(19)12-29-33-21)38-13-23(35)30-25-3-5-26(6-4-25,22(34)10-25)31-24(36)14-37-16-2-1-15-11-28-32-20(15)8-16/h1-2,7-9,11-12,22,34H,3-6,10,13-14H2,(H,28,32)(H,29,33)(H,30,35)(H,31,36)
• InChIKey: QZPBIVRUQONTOH-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 154.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.54
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide?

The IUPAC name of N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide (CID 155092876) is N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide.

What is the SMILES notation for N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide?

The canonical SMILES for N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide is O=C(COc1cc(F)c2cn[nH]c2c1)NC12CCC(NC(=O)COc3ccc4cn[nH]c4c3)(CC1)C(O)C2.

What is the InChIKey of N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide?

The InChIKey is QZPBIVRUQONTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O5/c27-19-7-17(9-21-18(19)12-29-33-21)38-13-23(35)30-25-3-5-26(6-4-25,22(34)10-25)31-24(36)14-37-16-2-1-15-11-28-32-20(15)8-16/h1-2,7-9,11-12,22,34H,3-6,10,13-14H2,(H,28,32)(H,29,33)(H,30,35)(H,31,36).

What are the key properties of N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide?

N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide has a molecular weight of 522.54 g/mol, XLogP of 2.08, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide is sourced from PubChem (CID 155092876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).