2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide

C26H32N8O2S — CID 67295699

About 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide

2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide (PubChem CID 67295699) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide
• PubChem CID: 67295699
• Molecular Formula: C26H32N8O2S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.24
• IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide
• SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(OC(C)(C)C)C4)cc3)nc3cccn23)n[nH]1
• InChI: InChI=1S/C26H32N8O2S/c1-17-14-21(32-31-17)28-24-30-25(29-22-6-5-12-34(22)24)37-20-9-7-18(8-10-20)27-23(35)16-33-13-11-19(15-33)36-26(2,3)4/h5-10,12,14,19H,11,13,15-16H2,1-4H3,(H,27,35)(H2,28,29,30,31,32)
• InChIKey: NYIHNXJTZSBGGF-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 112.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide?

The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide (CID 67295699) is 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide.

What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide?

The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(OC(C)(C)C)C4)cc3)nc3cccn23)n[nH]1.

What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide?

The InChIKey is NYIHNXJTZSBGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2S/c1-17-14-21(32-31-17)28-24-30-25(29-22-6-5-12-34(22)24)37-20-9-7-18(8-10-20)27-23(35)16-33-13-11-19(15-33)36-26(2,3)4/h5-10,12,14,19H,11,13,15-16H2,1-4H3,(H,27,35)(H2,28,29,30,31,32).

What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide?

2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide has a molecular weight of 520.66 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 67295699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).