N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C23H23N7O — CID 158104618

About N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158104618) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 158104618
• Molecular Formula: C23H23N7O
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.20
• IUPAC Name: N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
• SMILES: CN(C)CCOc1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cn1
• InChI: InChI=1S/C23H23N7O/c1-29(2)9-10-31-21-6-5-19(14-26-21)27-22-23-25-7-8-30(23)15-20(28-22)16-3-4-17-12-24-13-18(17)11-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,27,28)
• InChIKey: MIGZKNLNGRBMDX-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 79.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 158104618) is N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is CN(C)CCOc1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cn1.

What is the InChIKey of N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is MIGZKNLNGRBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29(2)9-10-31-21-6-5-19(14-26-21)27-22-23-25-7-8-30(23)15-20(28-22)16-3-4-17-12-24-13-18(17)11-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,27,28).

What are the key properties of N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?

N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 413.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158104618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).