5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide

C24H30N6O4S — CID 90449493

About 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide

5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (PubChem CID 90449493) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.

Molecular Properties

• Compound Name: 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
• PubChem CID: 90449493
• Molecular Formula: C24H30N6O4S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.20
• IUPAC Name: 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
• SMILES: CNC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(OC)s1)c1ccc(CCC(=O)N3CCC3)cc12
• InChI: InChI=1S/C24H30N6O4S/c1-25-22(32)29-11-8-24(14-29)15-30(23(33)27-21-26-13-20(34-2)35-21)18-6-4-16(12-17(18)24)5-7-19(31)28-9-3-10-28/h4,6,12-13H,3,5,7-11,14-15H2,1-2H3,(H,25,32)(H,26,27,33)
• InChIKey: BHBIYMSIADFCJJ-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 107.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?

The IUPAC name of 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (CID 90449493) is 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.

What is the SMILES notation for 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?

The canonical SMILES for 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is CNC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(OC)s1)c1ccc(CCC(=O)N3CCC3)cc12.

What is the InChIKey of 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?

The InChIKey is BHBIYMSIADFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-25-22(32)29-11-8-24(14-29)15-30(23(33)27-21-26-13-20(34-2)35-21)18-6-4-16(12-17(18)24)5-7-19(31)28-9-3-10-28/h4,6,12-13H,3,5,7-11,14-15H2,1-2H3,(H,25,32)(H,26,27,33).

What are the key properties of 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?

5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(azetidin-1-yl)-3-oxopropyl]-1-N-(5-methoxy-1,3-thiazol-2-yl)-1-N'-methylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is sourced from PubChem (CID 90449493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).