6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C28H32N8O3 — CID 72695668

About 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 72695668) has the molecular formula C28H32N8O3 and a molecular weight of 528.62 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 72695668
• Molecular Formula: C28H32N8O3
• Molecular Weight: 528.62 g/mol
• Exact Mass: 528.26
• IUPAC Name: 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCN(C2(C)COC2)CC1
• InChI: InChI=1S/C28H32N8O3/c1-28(17-38-18-28)36-10-8-34(9-11-36)23-4-3-20(14-24(23)37-2)32-25-26-30-5-7-35(26)16-22(33-25)19-13-21-27(31-15-19)39-12-6-29-21/h3-5,7,13-16,29H,6,8-12,17-18H2,1-2H3,(H,32,33)
• InChIKey: VMCQBJQGXVLRFB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 101.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.62
LogP ≤ 5	3.26
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-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 72695668) is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCN(C2(C)COC2)CC1.

What is the InChIKey of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is VMCQBJQGXVLRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O3/c1-28(17-38-18-28)36-10-8-34(9-11-36)23-4-3-20(14-24(23)37-2)32-25-26-30-5-7-35(26)16-22(33-25)19-13-21-27(31-15-19)39-12-6-29-21/h3-5,7,13-16,29H,6,8-12,17-18H2,1-2H3,(H,32,33).

What are the key properties of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 528.62 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 72695668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).