1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H24N4O3 — CID 166614684

About 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166614684) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 166614684
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CC(C)c1[nH]c(=O)ccc1C(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
• InChI: InChI=1S/C25H24N4O3/c1-15(2)21-17(9-10-20(30)28-21)23(31)29-13-11-25(22(29)16-6-5-12-26-14-16)18-7-3-4-8-19(18)27-24(25)32/h3-10,12,14-15,22H,11,13H2,1-2H3,(H,27,32)(H,28,30)
• InChIKey: CTQRAMRWGFVOKO-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166614684) is 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)c1[nH]c(=O)ccc1C(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.

What is the InChIKey of 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is CTQRAMRWGFVOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15(2)21-17(9-10-20(30)28-21)23(31)29-13-11-25(22(29)16-6-5-12-26-14-16)18-7-3-4-8-19(18)27-24(25)32/h3-10,12,14-15,22H,11,13H2,1-2H3,(H,27,32)(H,28,30).

What are the key properties of 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 428.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166614684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).