2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole

C34H19N7OS — CID 141175684

About 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole

2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole (PubChem CID 141175684) has the molecular formula C34H19N7OS and a molecular weight of 573.64 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole
• PubChem CID: 141175684
• Molecular Formula: C34H19N7OS
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.14
• IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole
• SMILES: c1ccc2sc(-c3c(-c4nc5ccccc5[nH]4)nc4ccc(-c5cnccn5)nc4c3-c3nc4ccccc4o3)cc2c1
• InChI: InChI=1S/C34H19N7OS/c1-6-12-27-19(7-1)17-28(43-27)29-30(34-41-23-10-4-5-11-26(23)42-34)31-24(14-13-22(37-31)25-18-35-15-16-36-25)38-32(29)33-39-20-8-2-3-9-21(20)40-33/h1-18H,(H,39,40)
• InChIKey: QITISSBKOMGYDR-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole?

The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole (CID 141175684) is 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole is c1ccc2sc(-c3c(-c4nc5ccccc5[nH]4)nc4ccc(-c5cnccn5)nc4c3-c3nc4ccccc4o3)cc2c1.

What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole?

The InChIKey is QITISSBKOMGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N7OS/c1-6-12-27-19(7-1)17-28(43-27)29-30(34-41-23-10-4-5-11-26(23)42-34)31-24(14-13-22(37-31)25-18-35-15-16-36-25)38-32(29)33-39-20-8-2-3-9-21(20)40-33/h1-18H,(H,39,40).

What are the key properties of 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole?

2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole has a molecular weight of 573.64 g/mol, XLogP of 8.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1H-benzimidazol-2-yl)-3-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-1,5-naphthyridin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 141175684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).