1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid

C21H19N5O5 — CID 126643054

About 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid

1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 126643054) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid
• PubChem CID: 126643054
• Molecular Formula: C21H19N5O5
• Molecular Weight: 421.41 g/mol
• Exact Mass: 421.14
• IUPAC Name: 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid
• SMILES: CC(=O)c1nn(CC(=O)N2C(=O)CCC2C(=O)O)c2ccc(-c3cnc(C)nc3)cc12
• InChI: InChI=1S/C21H19N5O5/c1-11(27)20-15-7-13(14-8-22-12(2)23-9-14)3-4-16(15)25(24-20)10-19(29)26-17(21(30)31)5-6-18(26)28/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,30,31)
• InChIKey: IWPMRGKHARMRIF-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 135.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.41
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid?

The IUPAC name of 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid (CID 126643054) is 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid.

What is the SMILES notation for 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid?

The canonical SMILES for 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid is CC(=O)c1nn(CC(=O)N2C(=O)CCC2C(=O)O)c2ccc(-c3cnc(C)nc3)cc12.

What is the InChIKey of 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid?

The InChIKey is IWPMRGKHARMRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-11(27)20-15-7-13(14-8-22-12(2)23-9-14)3-4-16(15)25(24-20)10-19(29)26-17(21(30)31)5-6-18(26)28/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,30,31).

What are the key properties of 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid?

1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 421.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 126643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).