6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione

C24H26ClN5O3 — CID 143405281

About 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione

6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione (PubChem CID 143405281) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione.

Molecular Properties

• Compound Name: 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione
• PubChem CID: 143405281
• Molecular Formula: C24H26ClN5O3
• Molecular Weight: 467.96 g/mol
• Exact Mass: 467.17
• IUPAC Name: 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione
• SMILES: CCCCCn1c2c(c(=O)n(CCCc3nc(-c4ccccc4)no3)c1=O)C1(CC1)C(Cl)=N2
• InChI: InChI=1S/C24H26ClN5O3/c1-2-3-7-14-29-20-18(24(12-13-24)22(25)27-20)21(31)30(23(29)32)15-8-11-17-26-19(28-33-17)16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
• InChIKey: HCAFSFGWWUCNRS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 95.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.96
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione?

The IUPAC name of 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione (CID 143405281) is 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione.

What is the SMILES notation for 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione?

The canonical SMILES for 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione is CCCCCn1c2c(c(=O)n(CCCc3nc(-c4ccccc4)no3)c1=O)C1(CC1)C(Cl)=N2.

What is the InChIKey of 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione?

The InChIKey is HCAFSFGWWUCNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-2-3-7-14-29-20-18(24(12-13-24)22(25)27-20)21(31)30(23(29)32)15-8-11-17-26-19(28-33-17)16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3.

What are the key properties of 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione?

6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione has a molecular weight of 467.96 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-chloro-1'-pentyl-3'-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2',4'-dione is sourced from PubChem (CID 143405281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).