N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide

C18H17N7OS — CID 59299127

About N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide

N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide (PubChem CID 59299127) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide
• PubChem CID: 59299127
• Molecular Formula: C18H17N7OS
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.12
• IUPAC Name: N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cn3ccnc23)cc1
• InChI: InChI=1S/C18H17N7OS/c1-11-9-15(24-23-11)21-16-10-25-8-7-19-17(25)18(22-16)27-14-5-3-13(4-6-14)20-12(2)26/h3-10H,1-2H3,(H,20,26)(H2,21,23,24)
• InChIKey: QZXDISDNIDKGEH-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide?

The IUPAC name of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide (CID 59299127) is N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide.

What is the SMILES notation for N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide?

The canonical SMILES for N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cn3ccnc23)cc1.

What is the InChIKey of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide?

The InChIKey is QZXDISDNIDKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-11-9-15(24-23-11)21-16-10-25-8-7-19-17(25)18(22-16)27-14-5-3-13(4-6-14)20-12(2)26/h3-10H,1-2H3,(H,20,26)(H2,21,23,24).

What are the key properties of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide?

N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 59299127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).