2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H19N5O2 — CID 166622198

About 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622198) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 166622198
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: Cn1ccnc1C1N(C(=O)c2cccnc2)CCC12C(=O)Nc1ccccc12
• InChI: InChI=1S/C21H19N5O2/c1-25-12-10-23-18(25)17-21(15-6-2-3-7-16(15)24-20(21)28)8-11-26(17)19(27)14-5-4-9-22-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,24,28)
• InChIKey: IKUOJMRCVUYCEP-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622198) is 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1C1N(C(=O)c2cccnc2)CCC12C(=O)Nc1ccccc12.

What is the InChIKey of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is IKUOJMRCVUYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25-12-10-23-18(25)17-21(15-6-2-3-7-16(15)24-20(21)28)8-11-26(17)19(27)14-5-4-9-22-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,24,28).

What are the key properties of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 373.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).