8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline

C28H24ClF4N7O — CID 170775143

About 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline

8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline (PubChem CID 170775143) has the molecular formula C28H24ClF4N7O and a molecular weight of 585.99 g/mol. Its IUPAC name is 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline.

Molecular Properties

• Compound Name: 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline
• PubChem CID: 170775143
• Molecular Formula: C28H24ClF4N7O
• Molecular Weight: 585.99 g/mol
• Exact Mass: 585.17
• IUPAC Name: 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline
• SMILES: Cc1nc2c(F)c(Oc3ccc4ncc(-c5cnn(C6CCN(CC(F)(F)F)C7(CC7)C6)c5)nc4c3Cl)ccc2[nH]1
• InChI: InChI=1S/C28H24ClF4N7O/c1-15-36-19-3-5-22(24(30)26(19)37-15)41-21-4-2-18-25(23(21)29)38-20(12-34-18)16-11-35-40(13-16)17-6-9-39(14-28(31,32)33)27(10-17)7-8-27/h2-5,11-13,17H,6-10,14H2,1H3,(H,36,37)
• InChIKey: OZGZGSJVQOQXKP-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.99
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline?

The IUPAC name of 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline (CID 170775143) is 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline.

What is the SMILES notation for 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline?

The canonical SMILES for 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline is Cc1nc2c(F)c(Oc3ccc4ncc(-c5cnn(C6CCN(CC(F)(F)F)C7(CC7)C6)c5)nc4c3Cl)ccc2[nH]1.

What is the InChIKey of 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline?

The InChIKey is OZGZGSJVQOQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF4N7O/c1-15-36-19-3-5-22(24(30)26(19)37-15)41-21-4-2-18-25(23(21)29)38-20(12-34-18)16-11-35-40(13-16)17-6-9-39(14-28(31,32)33)27(10-17)7-8-27/h2-5,11-13,17H,6-10,14H2,1H3,(H,36,37).

What are the key properties of 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline?

8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline has a molecular weight of 585.99 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)oxy]-2-[1-[4-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-7-yl]pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 170775143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).