N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide

C54H51N23O3S3 — CID 158684820

About N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide

N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide (PubChem CID 158684820) has the molecular formula C54H51N23O3S3 and a molecular weight of 1166.36 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;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide
• PubChem CID: 158684820
• Molecular Formula: C54H51N23O3S3
• Molecular Weight: 1166.36 g/mol
• Exact Mass: 1165.37
• IUPAC Name: N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide
• SMILES: CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc3ncnn23)cc1.CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cn3ccnc23)cc1.Cc1cc(Nc2cc3ncnn3c(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
• InChI: InChI=1S/C19H18N8OS.C18H17N7OS.C17H16N8OS/c1-11-8-16(26-25-11)23-15-9-17-20-10-21-27(17)19(24-15)29-14-6-4-13(5-7-14)22-18(28)12-2-3-12;1-11-9-15(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;1-10-7-15(24-23-10)21-14-8-16-18-9-19-25(16)17(22-14)27-13-5-3-12(4-6-13)20-11(2)26/h4-10,12H,2-3H2,1H3,(H,22,28)(H2,23,25,26);3-10H,1-2H3,(H,20,26)(H2,21,23,24);3-9H,1-2H3,(H,20,26)(H2,21,23,24)
• InChIKey: IFPHHGHCYCAPJY-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 325.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1166.36
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide (CID 158684820) is N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide.

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;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc3ncnn23)cc1.CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cn3ccnc23)cc1.Cc1cc(Nc2cc3ncnn3c(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1.

What is the InChIKey of N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide?

The InChIKey is IFPHHGHCYCAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS.C18H17N7OS.C17H16N8OS/c1-11-8-16(26-25-11)23-15-9-17-20-10-21-27(17)19(24-15)29-14-6-4-13(5-7-14)22-18(28)12-2-3-12;1-11-9-15(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;1-10-7-15(24-23-10)21-14-8-16-18-9-19-25(16)17(22-14)27-13-5-3-12(4-6-13)20-11(2)26/h4-10,12H,2-3H2,1H3,(H,22,28)(H2,23,25,26);3-10H,1-2H3,(H,20,26)(H2,21,23,24);3-9H,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-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide?

N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide has a molecular weight of 1166.36 g/mol, XLogP of 10.02, 16 rotatable bonds, 9 hydrogen bond donors, and 23 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;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]acetamide;N-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]sulfanyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 158684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).