3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde

C24H26ClFN6O2 — CID 176675670

About 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde

3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde (PubChem CID 176675670) has the molecular formula C24H26ClFN6O2 and a molecular weight of 484.96 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde.

Molecular Properties

• Compound Name: 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde
• PubChem CID: 176675670
• Molecular Formula: C24H26ClFN6O2
• Molecular Weight: 484.96 g/mol
• Exact Mass: 484.18
• IUPAC Name: 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde
• SMILES: CC(C)=C(C)/N=c1/c(-c2ccc(Cl)cc2F)nc(N2CCOC(c3cnn(C)c3)C2)cn1C=O
• InChI: InChI=1S/C24H26ClFN6O2/c1-15(2)16(3)28-24-23(19-6-5-18(25)9-20(19)26)29-22(13-32(24)14-33)31-7-8-34-21(12-31)17-10-27-30(4)11-17/h5-6,9-11,13-14,21H,7-8,12H2,1-4H3/b28-24-
• InChIKey: FRZSLZYWSVUOFW-COOPMVRXSA-N
• XLogP: 3.91
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.96
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde?

The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde (CID 176675670) is 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde.

What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde?

The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde is CC(C)=C(C)/N=c1/c(-c2ccc(Cl)cc2F)nc(N2CCOC(c3cnn(C)c3)C2)cn1C=O.

What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde?

The InChIKey is FRZSLZYWSVUOFW-COOPMVRXSA-N. The full InChI is InChI=1S/C24H26ClFN6O2/c1-15(2)16(3)28-24-23(19-6-5-18(25)9-20(19)26)29-22(13-32(24)14-33)31-7-8-34-21(12-31)17-10-27-30(4)11-17/h5-6,9-11,13-14,21H,7-8,12H2,1-4H3/b28-24-.

What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde?

3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde has a molecular weight of 484.96 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde is sourced from PubChem (CID 176675670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).