[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate

C25H27N9O3 — CID 140706916

About [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate

[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate (PubChem CID 140706916) has the molecular formula C25H27N9O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate
• PubChem CID: 140706916
• Molecular Formula: C25H27N9O3
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.22
• IUPAC Name: [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate
• SMILES: Cc1ncc(-c2cn3ccnc3c(OC(=O)Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)nc1N
• InChI: InChI=1S/C25H27N9O3/c1-16-22(26)30-20(12-28-16)21-13-34-7-6-27-23(34)24(31-21)37-25(35)29-17-2-4-18(5-3-17)32-8-10-33(11-9-32)19-14-36-15-19/h2-7,12-13,19H,8-11,14-15H2,1H3,(H2,26,30)(H,29,35)
• InChIKey: YNUNNURAMYKZJJ-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 136.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate?

The IUPAC name of [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate (CID 140706916) is [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate.

What is the SMILES notation for [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate?

The canonical SMILES for [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate is Cc1ncc(-c2cn3ccnc3c(OC(=O)Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)nc1N.

What is the InChIKey of [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate?

The InChIKey is YNUNNURAMYKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3/c1-16-22(26)30-20(12-28-16)21-13-34-7-6-27-23(34)24(31-21)37-25(35)29-17-2-4-18(5-3-17)32-8-10-33(11-9-32)19-14-36-15-19/h2-7,12-13,19H,8-11,14-15H2,1H3,(H2,26,30)(H,29,35).

What are the key properties of [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate?

[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 501.55 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 140706916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).