3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

C24H23ClFN5O — CID 91307987

About 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 91307987) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 91307987
• Molecular Formula: C24H23ClFN5O
• Molecular Weight: 451.93 g/mol
• Exact Mass: 451.16
• IUPAC Name: 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
• SMILES: CNc1nccn2c(-c3ccc(/N=C(\C)COCCc4cc(Cl)ccc4F)cc3)cnc12
• InChI: InChI=1S/C24H23ClFN5O/c1-16(15-32-12-9-18-13-19(25)5-8-21(18)26)30-20-6-3-17(4-7-20)22-14-29-24-23(27-2)28-10-11-31(22)24/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,27,28)/b30-16+
• InChIKey: GULPDJSVQJWCBO-OKCVXOCRSA-N
• XLogP: 5.58
• TPSA: 63.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.93
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (CID 91307987) is 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is CNc1nccn2c(-c3ccc(/N=C(\C)COCCc4cc(Cl)ccc4F)cc3)cnc12.

What is the InChIKey of 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?

The InChIKey is GULPDJSVQJWCBO-OKCVXOCRSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c1-16(15-32-12-9-18-13-19(25)5-8-21(18)26)30-20-6-3-17(4-7-20)22-14-29-24-23(27-2)28-10-11-31(22)24/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,27,28)/b30-16+.

What are the key properties of 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?

3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 451.93 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-(5-chloro-2-fluorophenyl)ethoxy]propan-2-ylideneamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 91307987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).