2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid

C27H28N4O6S — CID 143716848

About 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid

2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 143716848) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

• Compound Name: 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
• PubChem CID: 143716848
• Molecular Formula: C27H28N4O6S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.17
• IUPAC Name: 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
• SMILES: CC(C)CC(CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C(=O)O)c3ccc(O)cc3)cccn12
• InChI: InChI=1S/C27H28N4O6S/c1-15(2)12-18(13-32)28-26(35)23-21(17-9-11-38-14-17)29-24-20(4-3-10-31(23)24)25(34)30-22(27(36)37)16-5-7-19(33)8-6-16/h3-11,14-15,18,22,32-33H,12-13H2,1-2H3,(H,28,35)(H,30,34)(H,36,37)
• InChIKey: ZHQCHFMMQKGQBG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 153.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?

The IUPAC name of 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid (CID 143716848) is 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid.

What is the SMILES notation for 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?

The canonical SMILES for 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid is CC(C)CC(CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C(=O)O)c3ccc(O)cc3)cccn12.

What is the InChIKey of 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?

The InChIKey is ZHQCHFMMQKGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c1-15(2)12-18(13-32)28-26(35)23-21(17-9-11-38-14-17)29-24-20(4-3-10-31(23)24)25(34)30-22(27(36)37)16-5-7-19(33)8-6-16/h3-11,14-15,18,22,32-33H,12-13H2,1-2H3,(H,28,35)(H,30,34)(H,36,37).

What are the key properties of 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?

2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 536.61 g/mol, XLogP of 3.46, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 143716848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).