6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

C₂₆H₂₈N₈ — CID 148617941

About 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 148617941) has the molecular formula C₂₆H₂₈N₈ and a molecular weight of 452.57 g/mol. Its IUPAC name is 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 148617941
• Molecular Formula: C₂₆H₂₈N₈
• Molecular Weight: 452.57 g/mol
• Exact Mass: 452.24
• IUPAC Name: 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: CC(C)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cn2)CC1
• InChI: InChI=1S/C26H28N8/c1-18(2)32-9-11-33(12-10-32)24-6-5-22(16-29-24)30-25-26-28-7-8-34(26)17-23(31-25)19-3-4-20-14-27-15-21(20)13-19/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H,30,31)
• InChIKey: NFRHGQMVKYJSPY-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 73.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.57
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (CID 148617941) is 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is CC(C)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cn2)CC1.

What is the InChIKey of 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is NFRHGQMVKYJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-18(2)32-9-11-33(12-10-32)24-6-5-22(16-29-24)30-25-26-28-7-8-34(26)17-23(31-25)19-3-4-20-14-27-15-21(20)13-19/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H,30,31).

What are the key properties of 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?

6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 452.57 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 148617941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 148617941 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.