4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide

C19H19N9OS — CID 143578187

About 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide

4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (PubChem CID 143578187) has the molecular formula C19H19N9OS and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
• PubChem CID: 143578187
• Molecular Formula: C19H19N9OS
• Molecular Weight: 421.49 g/mol
• Exact Mass: 421.14
• IUPAC Name: 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
• SMILES: NC(=O)c1cc(-c2cnc(Nc3cnc(N4CCNCC4)nc3)c3nccn23)cs1
• InChI: InChI=1S/C19H19N9OS/c20-16(29)15-7-12(11-30-15)14-10-23-17(18-22-3-6-28(14)18)26-13-8-24-19(25-9-13)27-4-1-21-2-5-27/h3,6-11,21H,1-2,4-5H2,(H2,20,29)(H,23,26)
• InChIKey: LNSMECAHIKUZTN-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 126.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.49
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (CID 143578187) is 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is NC(=O)c1cc(-c2cnc(Nc3cnc(N4CCNCC4)nc3)c3nccn23)cs1.

What is the InChIKey of 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?

The InChIKey is LNSMECAHIKUZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9OS/c20-16(29)15-7-12(11-30-15)14-10-23-17(18-22-3-6-28(14)18)26-13-8-24-19(25-9-13)27-4-1-21-2-5-27/h3,6-11,21H,1-2,4-5H2,(H2,20,29)(H,23,26).

What are the key properties of 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?

4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143578187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).