1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H23N5O3 — CID 166614415

About 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166614415) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 166614415
• Molecular Formula: C23H23N5O3
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.18
• IUPAC Name: 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: O=C1CCC(CCC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)=NN1
• InChI: InChI=1S/C23H23N5O3/c29-19-9-7-16(26-27-19)8-10-20(30)28-13-11-23(21(28)15-4-3-12-24-14-15)17-5-1-2-6-18(17)25-22(23)31/h1-6,12,14,21H,7-11,13H2,(H,25,31)(H,27,29)
• InChIKey: AHFHRSHGADTPAF-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 103.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166614415) is 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1CCC(CCC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)=NN1.

What is the InChIKey of 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is AHFHRSHGADTPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-19-9-7-16(26-27-19)8-10-20(30)28-13-11-23(21(28)15-4-3-12-24-14-15)17-5-1-2-6-18(17)25-22(23)31/h1-6,12,14,21H,7-11,13H2,(H,25,31)(H,27,29).

What are the key properties of 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166614415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).