3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C28H27N7O3S2 — CID 59588546

About 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588546) has the molecular formula C28H27N7O3S2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• PubChem CID: 59588546
• Molecular Formula: C28H27N7O3S2
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.16
• IUPAC Name: 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
• SMILES: CC(=O)N1CCC(NC(=O)c2c(-c3ccsc3)nc3c(C(=O)NCc4ccc5nc(N)sc5c4)cccn23)CC1
• InChI: InChI=1S/C28H27N7O3S2/c1-16(36)34-10-6-19(7-11-34)31-27(38)24-23(18-8-12-39-15-18)33-25-20(3-2-9-35(24)25)26(37)30-14-17-4-5-21-22(13-17)40-28(29)32-21/h2-5,8-9,12-13,15,19H,6-7,10-11,14H2,1H3,(H2,29,32)(H,30,37)(H,31,38)
• InChIKey: QUVGHRQATGQAJD-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 134.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The IUPAC name of 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588546) is 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

What is the SMILES notation for 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The canonical SMILES for 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(=O)N1CCC(NC(=O)c2c(-c3ccsc3)nc3c(C(=O)NCc4ccc5nc(N)sc5c4)cccn23)CC1.

What is the InChIKey of 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

The InChIKey is QUVGHRQATGQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3S2/c1-16(36)34-10-6-19(7-11-34)31-27(38)24-23(18-8-12-39-15-18)33-25-20(3-2-9-35(24)25)26(37)30-14-17-4-5-21-22(13-17)40-28(29)32-21/h2-5,8-9,12-13,15,19H,6-7,10-11,14H2,1H3,(H2,29,32)(H,30,37)(H,31,38).

What are the key properties of 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?

3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 573.70 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(1-acetylpiperidin-4-yl)-8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).