6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium

C114H161BBrIN27O17V- — CID 159298958

About 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium

6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium (PubChem CID 159298958) has the molecular formula C114H161BBrIN27O17V- and a molecular weight of 2450.28 g/mol. Its IUPAC name is 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium.

Molecular Properties

• Compound Name: 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium
• PubChem CID: 159298958
• Molecular Formula: C114H161BBrIN27O17V-
• Molecular Weight: 2450.28 g/mol
• Exact Mass: 2448.03
• IUPAC Name: 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium
• SMILES: C.C.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)n1.CCI.Cc1c(-c2cncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)nc(N(C(=O)OC(C)(C)C)c2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.Cc1c(-c2cncc(N)n2)nc(Nc2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.Cc1c(Br)nc(N(C(=O)OC(C)(C)C)c2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.[CH3-].[V]
• InChI: InChI=1S/C39H51N9O7.C25H31BrN6O3.C24H27N9O.C20H32BN3O6.C2H5I.3CH4.CH3.V/c1-25-31(29-21-40-22-30(42-29)48(35(50)54-38(5,6)7)36(51)55-39(8,9)10)43-33(32-41-15-16-46(25)32)47(34(49)53-37(2,3)4)27-13-11-26(12-14-27)44-17-19-45(20-18-44)28-23-52-24-28;1-17-21(26)28-23(22-27-9-10-31(17)22)32(24(33)35-25(2,3)4)19-7-5-18(6-8-19)29-11-13-30(14-12-29)20-15-34-16-20;1-16-22(20-12-26-13-21(25)29-20)30-23(24-27-6-7-33(16)24)28-17-2-4-18(5-3-17)31-8-10-32(11-9-31)19-14-34-15-19;1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-12-22-11-13(23-14)21-29-19(7,8)20(9,10)30-21;1-2-3;;;;;/h11-16,21-22,28H,17-20,23-24H2,1-10H3;5-10,20H,11-16H2,1-4H3;2-7,12-13,19H,8-11,14-15H2,1H3,(H2,25,29)(H,28,30);11-12H,1-10H3;2H2,1H3;3*1H4;1H3;/q;;;;;;;;-1
• InChIKey: PDFSIOOOEXEGJB-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 442.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2450.28
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium?

The IUPAC name of 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium (CID 159298958) is 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium.

What is the SMILES notation for 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium?

The canonical SMILES for 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium is C.C.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)n1.CCI.Cc1c(-c2cncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)nc(N(C(=O)OC(C)(C)C)c2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.Cc1c(-c2cncc(N)n2)nc(Nc2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.Cc1c(Br)nc(N(C(=O)OC(C)(C)C)c2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12.[CH3-].[V].

What is the InChIKey of 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium?

The InChIKey is PDFSIOOOEXEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N9O7.C25H31BrN6O3.C24H27N9O.C20H32BN3O6.C2H5I.3CH4.CH3.V/c1-25-31(29-21-40-22-30(42-29)48(35(50)54-38(5,6)7)36(51)55-39(8,9)10)43-33(32-41-15-16-46(25)32)47(34(49)53-37(2,3)4)27-13-11-26(12-14-27)44-17-19-45(20-18-44)28-23-52-24-28;1-17-21(26)28-23(22-27-9-10-31(17)22)32(24(33)35-25(2,3)4)19-7-5-18(6-8-19)29-11-13-30(14-12-29)20-15-34-16-20;1-16-22(20-12-26-13-21(25)29-20)30-23(24-27-6-7-33(16)24)28-17-2-4-18(5-3-17)31-8-10-32(11-9-31)19-14-34-15-19;1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-12-22-11-13(23-14)21-29-19(7,8)20(9,10)30-21;1-2-3;;;;;/h11-16,21-22,28H,17-20,23-24H2,1-10H3;5-10,20H,11-16H2,1-4H3;2-7,12-13,19H,8-11,14-15H2,1H3,(H2,25,29)(H,28,30);11-12H,1-10H3;2H2,1H3;3*1H4;1H3;/q;;;;;;;;-1;.

What are the key properties of 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium?

6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium has a molecular weight of 2450.28 g/mol, XLogP of 20.75, 17 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-aminopyrazin-2-yl)-5-methyl-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-5-methylimidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate;carbanide;iodoethane;methane;vanadium is sourced from PubChem (CID 159298958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).