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

C24H21ClN6O2 — CID 170775132

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

8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline (PubChem CID 170775132) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline.

Molecular Properties

• Compound Name: 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
• PubChem CID: 170775132
• Molecular Formula: C24H21ClN6O2
• Molecular Weight: 460.93 g/mol
• Exact Mass: 460.14
• IUPAC Name: 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
• SMILES: COC1(Cn2cc(-c3cnc4ccc(Oc5ccc6nc(C)[nH]c6c5)c(Cl)c4n3)cn2)CC1
• InChI: InChI=1S/C24H21ClN6O2/c1-14-28-17-4-3-16(9-19(17)29-14)33-21-6-5-18-23(22(21)25)30-20(11-26-18)15-10-27-31(12-15)13-24(32-2)7-8-24/h3-6,9-12H,7-8,13H2,1-2H3,(H,28,29)
• InChIKey: WSTWWXDBSWJXQK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 90.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.93
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline (CID 170775132) is 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline.

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

The canonical SMILES for 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline is COC1(Cn2cc(-c3cnc4ccc(Oc5ccc6nc(C)[nH]c6c5)c(Cl)c4n3)cn2)CC1.

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

The InChIKey is WSTWWXDBSWJXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-14-28-17-4-3-16(9-19(17)29-14)33-21-6-5-18-23(22(21)25)30-20(11-26-18)15-10-27-31(12-15)13-24(32-2)7-8-24/h3-6,9-12H,7-8,13H2,1-2H3,(H,28,29).

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

8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline has a molecular weight of 460.93 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline is sourced from PubChem (CID 170775132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).