N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine

C22H19IN6O2 — CID 134327262

About N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine

N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 134327262) has the molecular formula C22H19IN6O2 and a molecular weight of 526.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 134327262
• Molecular Formula: C22H19IN6O2
• Molecular Weight: 526.34 g/mol
• Exact Mass: 526.06
• IUPAC Name: N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: COc1ccc(Nc2nc(-c3ccc4cnn(CI)c4c3)cn3ccnc23)cc1OC
• InChI: InChI=1S/C22H19IN6O2/c1-30-19-6-5-16(10-20(19)31-2)26-21-22-24-7-8-28(22)12-17(27-21)14-3-4-15-11-25-29(13-23)18(15)9-14/h3-12H,13H2,1-2H3,(H,26,27)
• InChIKey: YXZQBWZTEUDNKH-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 78.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.34
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine (CID 134327262) is N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine.

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

The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine is COc1ccc(Nc2nc(-c3ccc4cnn(CI)c4c3)cn3ccnc23)cc1OC.

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

The InChIKey is YXZQBWZTEUDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN6O2/c1-30-19-6-5-16(10-20(19)31-2)26-21-22-24-7-8-28(22)12-17(27-21)14-3-4-15-11-25-29(13-23)18(15)9-14/h3-12H,13H2,1-2H3,(H,26,27).

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

N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 526.34 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 134327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).