1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H16N6O2 — CID 138993220

About 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 138993220) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 138993220
• Molecular Formula: C19H16N6O2
• Molecular Weight: 360.38 g/mol
• Exact Mass: 360.13
• IUPAC Name: 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: O=C(c1cncc(-n2ccnn2)c1)N1CCC2(C1)C(=O)Nc1ccccc12
• InChI: InChI=1S/C19H16N6O2/c26-17(13-9-14(11-20-10-13)25-8-6-21-23-25)24-7-5-19(12-24)15-3-1-2-4-16(15)22-18(19)27/h1-4,6,8-11H,5,7,12H2,(H,22,27)
• InChIKey: UBNSSSYOWBXZHG-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.38
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 138993220) is 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1cncc(-n2ccnn2)c1)N1CCC2(C1)C(=O)Nc1ccccc12.

What is the InChIKey of 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is UBNSSSYOWBXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c26-17(13-9-14(11-20-10-13)25-8-6-21-23-25)24-7-5-19(12-24)15-3-1-2-4-16(15)22-18(19)27/h1-4,6,8-11H,5,7,12H2,(H,22,27).

What are the key properties of 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?

1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 360.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 138993220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).