1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

C24H32FN5O2 — CID 142520868

About 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (PubChem CID 142520868) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
• PubChem CID: 142520868
• Molecular Formula: C24H32FN5O2
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.25
• IUPAC Name: 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
• SMILES: CC(CF)n1ncc2ccc(-c3noc(C4CCN(C=O)CC4)n3)cc21.CCC1(C)CC1
• InChI: InChI=1S/C18H20FN5O2.C6H12/c1-12(9-19)24-16-8-14(2-3-15(16)10-20-24)17-21-18(26-22-17)13-4-6-23(11-25)7-5-13;1-3-6(2)4-5-6/h2-3,8,10-13H,4-7,9H2,1H3;3-5H2,1-2H3
• InChIKey: XNBLOUHBUADXIG-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The IUPAC name of 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (CID 142520868) is 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.

What is the SMILES notation for 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The canonical SMILES for 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is CC(CF)n1ncc2ccc(-c3noc(C4CCN(C=O)CC4)n3)cc21.CCC1(C)CC1.

What is the InChIKey of 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The InChIKey is XNBLOUHBUADXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2.C6H12/c1-12(9-19)24-16-8-14(2-3-15(16)10-20-24)17-21-18(26-22-17)13-4-6-23(11-25)7-5-13;1-3-6(2)4-5-6/h2-3,8,10-13H,4-7,9H2,1H3;3-5H2,1-2H3.

What are the key properties of 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde has a molecular weight of 441.55 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-methylcyclopropane;4-[3-[1-(1-fluoropropan-2-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 142520868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).