2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium

C209H299BBr4I10N45O34V2-2 — CID 159157852

IUPAC2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium
SMILESBrc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(Nc2ccc(N3CCN(CC4COC4)CC3)cc2)n1.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cn3ccnc3c(N(C(=O)OC(C)(C)C)c3ccc(N4CCN(CC5COC5)CC4)cc3)n2)n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)n1.CC(C)(C)OC(=O)N(c1ccc(N2CCN(CC3COC3)CC2)cc1)c1nc(Br)cn2ccnc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)I.CCC.CCC(I)(I)I.CCC(I)I.CCCI.I[V](I)I.Nc1ccc(N2CCN(CC3COC3)CC2)cc1.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(CC(CO)CO)CC4)cc3)n2)n1.O=CC1COC1.O=[N+]([O-])c1ccc(N2CCN(CC3COC3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.OCC1COC1.[CH2-]C.[CH3-].[V]
InChIInChI=1S/C39H51N9O7.C25H31BrN6O3.C24H29N9O2.C20H32BN3O6.C20H23BrN6O.C14H19N3O3.C14H21N3O.C10H13N3O2.C10H18O5.C6H3Br2N3.C4H8O2.C4H6O2.C3H5I3.C3H6I2.2C3H7I.C3H8.C2H5.CH4.CH3.3HI.2V/c1-37(2,3)53-34(49)47(28-12-10-27(11-13-28)45-18-16-44(17-19-45)22-26-24-52-25-26)33-32-41-14-15-46(32)23-30(43-33)29-20-40-21-31(42-29)48(35(50)54-38(4,5)6)36(51)55-39(7,8)9;1-25(2,3)35-24(33)32(23-22-27-8-9-31(22)15-21(26)28-23)20-6-4-19(5-7-20)30-12-10-29(11-13-30)14-18-16-34-17-18;25-22-12-26-11-20(29-22)21-14-33-6-5-27-24(33)23(30-21)28-18-1-3-19(4-2-18)32-9-7-31(8-10-32)13-17(15-34)16-35;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;21-18-12-27-6-5-22-20(27)19(24-18)23-16-1-3-17(4-2-16)26-9-7-25(8-10-26)11-15-13-28-14-15;18-17(19)14-3-1-13(2-4-14)16-7-5-15(6-8-16)9-12-10-20-11-12;15-13-1-3-14(4-2-13)17-7-5-16(6-8-17)9-12-10-18-11-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-4-3-11-2-1-9-6(11)5(8)10-4;2*5-1-4-2-6-3-4;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2;1-2;;;;;;;/h10-15,20-21,23,26H,16-19,22,24-25H2,1-9H3;4-9,15,18H,10-14,16-17H2,1-3H3;1-6,11-12,14,17,34-35H,7-10,13,15-16H2,(H2,25,29)(H,28,30);11-12H,1-10H3;1-6,12,15H,7-11,13-14H2,(H,23,24);1-4,12H,5-11H2;1-4,12H,5-11,15H2;1-4,11H,5-8H2;1-6H3;1-3H;4-5H,1-3H2;1,4H,2-3H2;2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3;1H2,2H3;1H4;1H3;3*1H;;/q;;;;;;;;;;;;;;;;;-1;;-1;;;;;+3/p-3
InChIKeyFRVIVSXSMLXPKT-UHFFFAOYSA-K
MW5687.33 g/mol
LogP42.32
Rot. Bonds41

About 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium

2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium (PubChem CID 159157852) has the molecular formula C209H299BBr4I10N45O34V2-2 and a molecular weight of 5687.33 g/mol. Its IUPAC name is 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium.

Molecular Properties

Compound Name2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium
PubChem CID159157852
Molecular FormulaC209H299BBr4I10N45O34V2-2
Molecular Weight5687.33 g/mol
Exact Mass5680.92
IUPAC Name2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium
SMILESBrc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(Nc2ccc(N3CCN(CC4COC4)CC3)cc2)n1.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cn3ccnc3c(N(C(=O)OC(C)(C)C)c3ccc(N4CCN(CC5COC5)CC4)cc3)n2)n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)n1.CC(C)(C)OC(=O)N(c1ccc(N2CCN(CC3COC3)CC2)cc1)c1nc(Br)cn2ccnc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)I.CCC.CCC(I)(I)I.CCC(I)I.CCCI.I[V](I)I.Nc1ccc(N2CCN(CC3COC3)CC2)cc1.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(CC(CO)CO)CC4)cc3)n2)n1.O=CC1COC1.O=[N+]([O-])c1ccc(N2CCN(CC3COC3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.OCC1COC1.[CH2-]C.[CH3-].[V]
InChIInChI=1S/C39H51N9O7.C25H31BrN6O3.C24H29N9O2.C20H32BN3O6.C20H23BrN6O.C14H19N3O3.C14H21N3O.C10H13N3O2.C10H18O5.C6H3Br2N3.C4H8O2.C4H6O2.C3H5I3.C3H6I2.2C3H7I.C3H8.C2H5.CH4.CH3.3HI.2V/c1-37(2,3)53-34(49)47(28-12-10-27(11-13-28)45-18-16-44(17-19-45)22-26-24-52-25-26)33-32-41-14-15-46(32)23-30(43-33)29-20-40-21-31(42-29)48(35(50)54-38(4,5)6)36(51)55-39(7,8)9;1-25(2,3)35-24(33)32(23-22-27-8-9-31(22)15-21(26)28-23)20-6-4-19(5-7-20)30-12-10-29(11-13-30)14-18-16-34-17-18;25-22-12-26-11-20(29-22)21-14-33-6-5-27-24(33)23(30-21)28-18-1-3-19(4-2-18)32-9-7-31(8-10-32)13-17(15-34)16-35;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;21-18-12-27-6-5-22-20(27)19(24-18)23-16-1-3-17(4-2-16)26-9-7-25(8-10-26)11-15-13-28-14-15;18-17(19)14-3-1-13(2-4-14)16-7-5-15(6-8-16)9-12-10-20-11-12;15-13-1-3-14(4-2-13)17-7-5-16(6-8-17)9-12-10-18-11-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-4-3-11-2-1-9-6(11)5(8)10-4;2*5-1-4-2-6-3-4;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2;1-2;;;;;;;/h10-15,20-21,23,26H,16-19,22,24-25H2,1-9H3;4-9,15,18H,10-14,16-17H2,1-3H3;1-6,11-12,14,17,34-35H,7-10,13,15-16H2,(H2,25,29)(H,28,30);11-12H,1-10H3;1-6,12,15H,7-11,13-14H2,(H,23,24);1-4,12H,5-11H2;1-4,12H,5-11,15H2;1-4,11H,5-8H2;1-6H3;1-3H;4-5H,1-3H2;1,4H,2-3H2;2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3;1H2,2H3;1H4;1H3;3*1H;;/q;;;;;;;;;;;;;;;;;-1;;-1;;;;;+3/p-3
InChIKeyFRVIVSXSMLXPKT-UHFFFAOYSA-K
XLogP42.32
TPSA838.24 Ų
H-Bond Donors8
H-Bond Acceptors73
Rotatable Bonds41
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005687.33
LogP ≤ 542.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1073

Analyze 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium?
The IUPAC name of 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium (CID 159157852) is 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium.
What is the SMILES notation for 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium?
The canonical SMILES for 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium is Brc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(Nc2ccc(N3CCN(CC4COC4)CC3)cc2)n1.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cn3ccnc3c(N(C(=O)OC(C)(C)C)c3ccc(N4CCN(CC5COC5)CC4)cc3)n2)n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)n1.CC(C)(C)OC(=O)N(c1ccc(N2CCN(CC3COC3)CC2)cc1)c1nc(Br)cn2ccnc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)I.CCC.CCC(I)(I)I.CCC(I)I.CCCI.I[V](I)I.Nc1ccc(N2CCN(CC3COC3)CC2)cc1.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(CC(CO)CO)CC4)cc3)n2)n1.O=CC1COC1.O=[N+]([O-])c1ccc(N2CCN(CC3COC3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.OCC1COC1.[CH2-]C.[CH3-].[V].
What is the InChIKey of 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium?
The InChIKey is FRVIVSXSMLXPKT-UHFFFAOYSA-K. The full InChI is InChI=1S/C39H51N9O7.C25H31BrN6O3.C24H29N9O2.C20H32BN3O6.C20H23BrN6O.C14H19N3O3.C14H21N3O.C10H13N3O2.C10H18O5.C6H3Br2N3.C4H8O2.C4H6O2.C3H5I3.C3H6I2.2C3H7I.C3H8.C2H5.CH4.CH3.3HI.2V/c1-37(2,3)53-34(49)47(28-12-10-27(11-13-28)45-18-16-44(17-19-45)22-26-24-52-25-26)33-32-41-14-15-46(32)23-30(43-33)29-20-40-21-31(42-29)48(35(50)54-38(4,5)6)36(51)55-39(7,8)9;1-25(2,3)35-24(33)32(23-22-27-8-9-31(22)15-21(26)28-23)20-6-4-19(5-7-20)30-12-10-29(11-13-30)14-18-16-34-17-18;25-22-12-26-11-20(29-22)21-14-33-6-5-27-24(33)23(30-21)28-18-1-3-19(4-2-18)32-9-7-31(8-10-32)13-17(15-34)16-35;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;21-18-12-27-6-5-22-20(27)19(24-18)23-16-1-3-17(4-2-16)26-9-7-25(8-10-26)11-15-13-28-14-15;18-17(19)14-3-1-13(2-4-14)16-7-5-15(6-8-16)9-12-10-20-11-12;15-13-1-3-14(4-2-13)17-7-5-16(6-8-17)9-12-10-18-11-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-4-3-11-2-1-9-6(11)5(8)10-4;2*5-1-4-2-6-3-4;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2;1-2;;;;;;;/h10-15,20-21,23,26H,16-19,22,24-25H2,1-9H3;4-9,15,18H,10-14,16-17H2,1-3H3;1-6,11-12,14,17,34-35H,7-10,13,15-16H2,(H2,25,29)(H,28,30);11-12H,1-10H3;1-6,12,15H,7-11,13-14H2,(H,23,24);1-4,12H,5-11H2;1-4,12H,5-11,15H2;1-4,11H,5-8H2;1-6H3;1-3H;4-5H,1-3H2;1,4H,2-3H2;2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3;1H2,2H3;1H4;1H3;3*1H;;/q;;;;;;;;;;;;;;;;;-1;;-1;;;;;+3/p-3.
What are the key properties of 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium?
2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium has a molecular weight of 5687.33 g/mol, XLogP of 42.32, 41 rotatable bonds, 8 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]propane-1,3-diol;6-bromo-N-[4-[4-(oxetan-3-ylmethyl)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]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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;6,8-dibromoimidazo[1,2-a]pyrazine;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-(4-nitrophenyl)-4-(oxetan-3-ylmethyl)piperazine;1-(4-nitrophenyl)piperazine;oxetane-3-carbaldehyde;oxetan-3-ylmethanol;4-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline;propane;1,1,1-triiodopropane;triiodovanadium;vanadium is sourced from PubChem (CID 159157852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).