8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline

C27H21ClN8O — CID 164870532

About 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline

8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline (PubChem CID 164870532) has the molecular formula C27H21ClN8O and a molecular weight of 508.97 g/mol. Its IUPAC name is 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline.

Molecular Properties

• Compound Name: 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline
• PubChem CID: 164870532
• Molecular Formula: C27H21ClN8O
• Molecular Weight: 508.97 g/mol
• Exact Mass: 508.15
• IUPAC Name: 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CN(c7ccccn7)C6)c5)nc4c3Cl)cc2[nH]1
• InChI: InChI=1S/C27H21ClN8O/c1-16-32-20-6-5-19(10-22(20)33-16)37-24-8-7-21-27(26(24)28)34-23(12-30-21)17-11-31-36(13-17)18-14-35(15-18)25-4-2-3-9-29-25/h2-13,18H,14-15H2,1H3,(H,32,33)
• InChIKey: GYHVMPGYAMNWRB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 97.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.97
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline (CID 164870532) is 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline.

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

The canonical SMILES for 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CN(c7ccccn7)C6)c5)nc4c3Cl)cc2[nH]1.

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

The InChIKey is GYHVMPGYAMNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN8O/c1-16-32-20-6-5-19(10-22(20)33-16)37-24-8-7-21-27(26(24)28)34-23(12-30-21)17-11-31-36(13-17)18-14-35(15-18)25-4-2-3-9-29-25/h2-13,18H,14-15H2,1H3,(H,32,33).

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

8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline has a molecular weight of 508.97 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-(1-pyridin-2-ylazetidin-3-yl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 164870532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).