N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C25H25N5O2 — CID 90717776

About N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 90717776) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 90717776
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: C/C=N/C=C(C)c1ccc(-c2cn3ccnc3c(Nc3ccc(OC)c(OC)c3)n2)cc1
• InChI: InChI=1S/C25H25N5O2/c1-5-26-15-17(2)18-6-8-19(9-7-18)21-16-30-13-12-27-25(30)24(29-21)28-20-10-11-22(31-3)23(14-20)32-4/h5-16H,1-4H3,(H,28,29)/b17-15?,26-5+
• InChIKey: GOJUSWKQNSOZMC-DIRLZEJESA-N
• XLogP: 5.61
• TPSA: 73.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 90717776) is N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is C/C=N/C=C(C)c1ccc(-c2cn3ccnc3c(Nc3ccc(OC)c(OC)c3)n2)cc1.

What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is GOJUSWKQNSOZMC-DIRLZEJESA-N. The full InChI is InChI=1S/C25H25N5O2/c1-5-26-15-17(2)18-6-8-19(9-7-18)21-16-30-13-12-27-25(30)24(29-21)28-20-10-11-22(31-3)23(14-20)32-4/h5-16H,1-4H3,(H,28,29)/b17-15?,26-5+.

What are the key properties of N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 427.51 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 90717776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).