2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

C25H26N6O2 — CID 156868234

About 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 156868234) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
• PubChem CID: 156868234
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)Cc3c[nH]c4ccc(O)cc34)cc2)nc(N2CCCC2)n1
• InChI: InChI=1S/C25H26N6O2/c1-16-12-23(30-25(27-16)31-10-2-3-11-31)28-18-4-6-19(7-5-18)29-24(33)13-17-15-26-22-9-8-20(32)14-21(17)22/h4-9,12,14-15,26,32H,2-3,10-11,13H2,1H3,(H,29,33)(H,27,28,30)
• InChIKey: CWCCJDQSWHESSA-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 106.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?

The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 156868234) is 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?

The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is Cc1cc(Nc2ccc(NC(=O)Cc3c[nH]c4ccc(O)cc34)cc2)nc(N2CCCC2)n1.

What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?

The InChIKey is CWCCJDQSWHESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-12-23(30-25(27-16)31-10-2-3-11-31)28-18-4-6-19(7-5-18)29-24(33)13-17-15-26-22-9-8-20(32)14-21(17)22/h4-9,12,14-15,26,32H,2-3,10-11,13H2,1H3,(H,29,33)(H,27,28,30).

What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?

2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 156868234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).