5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione

C23H21N5O4 — CID 166621818

About 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 166621818) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione
• PubChem CID: 166621818
• Molecular Formula: C23H21N5O4
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.16
• IUPAC Name: 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione
• SMILES: Cc1cn(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H21N5O4/c1-14-12-27(22(32)26-20(14)30)13-18(29)28-10-8-23(19(28)15-5-4-9-24-11-15)16-6-2-3-7-17(16)25-21(23)31/h2-7,9,11-12,19H,8,10,13H2,1H3,(H,25,31)(H,26,30,32)
• InChIKey: XEHFWGZDXKAFEQ-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 117.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione?

The IUPAC name of 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione (CID 166621818) is 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione?

The canonical SMILES for 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c(=O)[nH]c1=O.

What is the InChIKey of 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione?

The InChIKey is XEHFWGZDXKAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-14-12-27(22(32)26-20(14)30)13-18(29)28-10-8-23(19(28)15-5-4-9-24-11-15)16-6-2-3-7-17(16)25-21(23)31/h2-7,9,11-12,19H,8,10,13H2,1H3,(H,25,31)(H,26,30,32).

What are the key properties of 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione?

5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 431.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 166621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).