2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide

C26H25ClN8O2 — CID 164870646

About 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide

2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 164870646) has the molecular formula C26H25ClN8O2 and a molecular weight of 516.99 g/mol. Its IUPAC name is 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
• PubChem CID: 164870646
• Molecular Formula: C26H25ClN8O2
• Molecular Weight: 516.99 g/mol
• Exact Mass: 516.18
• IUPAC Name: 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(CC(N)=O)CC6)c5)nc4c3Cl)cc2[nH]1
• InChI: InChI=1S/C26H25ClN8O2/c1-15-31-19-3-2-18(10-21(19)32-15)37-23-5-4-20-26(25(23)27)33-22(12-29-20)16-11-30-35(13-16)17-6-8-34(9-7-17)14-24(28)36/h2-5,10-13,17H,6-9,14H2,1H3,(H2,28,36)(H,31,32)
• InChIKey: MDQPYMIYRHQTGH-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 127.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.99
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?

The IUPAC name of 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide (CID 164870646) is 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?

The canonical SMILES for 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(CC(N)=O)CC6)c5)nc4c3Cl)cc2[nH]1.

What is the InChIKey of 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?

The InChIKey is MDQPYMIYRHQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8O2/c1-15-31-19-3-2-18(10-21(19)32-15)37-23-5-4-20-26(25(23)27)33-22(12-29-20)16-11-30-35(13-16)17-6-8-34(9-7-17)14-24(28)36/h2-5,10-13,17H,6-9,14H2,1H3,(H2,28,36)(H,31,32).

What are the key properties of 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?

2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 516.99 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 164870646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).