4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

C26H28N6OS — CID 55819071

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 55819071) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
• PubChem CID: 55819071
• Molecular Formula: C26H28N6OS
• Molecular Weight: 472.62 g/mol
• Exact Mass: 472.20
• IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
• SMILES: CN1CCN(c2cc(CNC(=O)c3ccc(SCc4cn5ccccc5n4)cc3)ccn2)CC1
• InChI: InChI=1S/C26H28N6OS/c1-30-12-14-31(15-13-30)25-16-20(9-10-27-25)17-28-26(33)21-5-7-23(8-6-21)34-19-22-18-32-11-3-2-4-24(32)29-22/h2-11,16,18H,12-15,17,19H2,1H3,(H,28,33)
• InChIKey: JVVJUDFUBZLEMM-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.62
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?

The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (CID 55819071) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.

What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?

The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is CN1CCN(c2cc(CNC(=O)c3ccc(SCc4cn5ccccc5n4)cc3)ccn2)CC1.

What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?

The InChIKey is JVVJUDFUBZLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-30-12-14-31(15-13-30)25-16-20(9-10-27-25)17-28-26(33)21-5-7-23(8-6-21)34-19-22-18-32-11-3-2-4-24(32)29-22/h2-11,16,18H,12-15,17,19H2,1H3,(H,28,33).

What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 472.62 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55819071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).