1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol

C41H30N6O2S — CID 123646124

About 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol

1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol (PubChem CID 123646124) has the molecular formula C41H30N6O2S and a molecular weight of 670.80 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol
• PubChem CID: 123646124
• Molecular Formula: C41H30N6O2S
• Molecular Weight: 670.80 g/mol
• Exact Mass: 670.22
• IUPAC Name: 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol
• SMILES: Cc1ccc(-c2cn3cc(-c4csc(C(O)C(O)c5ccnc(-c6ccc7nc(-c8cnc9ccccc9c8)cn7c6)c5)c4)ccc3n2)cc1
• InChI: InChI=1S/C41H30N6O2S/c1-25-6-8-26(9-7-25)35-22-46-20-29(10-12-38(46)44-35)32-18-37(50-24-32)41(49)40(48)28-14-15-42-34(17-28)30-11-13-39-45-36(23-47(39)21-30)31-16-27-4-2-3-5-33(27)43-19-31/h2-24,40-41,48-49H,1H3
• InChIKey: VRAGILBQJMZDKR-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 100.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.80
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol?

The IUPAC name of 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol (CID 123646124) is 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol.

What is the SMILES notation for 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol?

The canonical SMILES for 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol is Cc1ccc(-c2cn3cc(-c4csc(C(O)C(O)c5ccnc(-c6ccc7nc(-c8cnc9ccccc9c8)cn7c6)c5)c4)ccc3n2)cc1.

What is the InChIKey of 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol?

The InChIKey is VRAGILBQJMZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N6O2S/c1-25-6-8-26(9-7-25)35-22-46-20-29(10-12-38(46)44-35)32-18-37(50-24-32)41(49)40(48)28-14-15-42-34(17-28)30-11-13-39-45-36(23-47(39)21-30)31-16-27-4-2-3-5-33(27)43-19-31/h2-24,40-41,48-49H,1H3.

What are the key properties of 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol?

1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol has a molecular weight of 670.80 g/mol, XLogP of 8.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]-2-[2-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)-4-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 123646124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).