2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde

C62H79F3I2N17O8V- — CID 158742157

IUPAC2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde
SMILESC.CCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.I[V]I.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1.O=CC(F)(F)F.[CH2-]C
InChIInChI=1S/C32H40N8O4.C25H29N9O3.C2HF3O.C2H5.CH4.2HI.V/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25;26-23-13-27-12-19(30-23)20-14-34-4-3-28-25(34)24(31-20)29-17-1-2-21(22(11-17)37-10-9-35)33-7-5-32(6-8-33)18-15-36-16-18;3-2(4,5)1-6;1-2;;;;/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3;1-4,11-14,18,35H,5-10,15-16H2,(H2,26,30)(H,29,31);1H;1H2,2H3;1H4;2*1H;/q;;;-1;;;;+2/p-2
InChIKeyVIXBDXODTKLVED-UHFFFAOYSA-L
MW1552.17 g/mol
LogP10.27
Rot. Bonds16

About 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde

2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 158742157) has the molecular formula C62H79F3I2N17O8V- and a molecular weight of 1552.17 g/mol. Its IUPAC name is 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde
PubChem CID158742157
Molecular FormulaC62H79F3I2N17O8V-
Molecular Weight1552.17 g/mol
Exact Mass1551.38
IUPAC Name2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde
SMILESC.CCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.I[V]I.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1.O=CC(F)(F)F.[CH2-]C
InChIInChI=1S/C32H40N8O4.C25H29N9O3.C2HF3O.C2H5.CH4.2HI.V/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25;26-23-13-27-12-19(30-23)20-14-34-4-3-28-25(34)24(31-20)29-17-1-2-21(22(11-17)37-10-9-35)33-7-5-32(6-8-33)18-15-36-16-18;3-2(4,5)1-6;1-2;;;;/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3;1-4,11-14,18,35H,5-10,15-16H2,(H2,26,30)(H,29,31);1H;1H2,2H3;1H4;2*1H;/q;;;-1;;;;+2/p-2
InChIKeyVIXBDXODTKLVED-UHFFFAOYSA-L
XLogP10.27
TPSA266.71 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.17
LogP ≤ 510.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

2-[5-[[6-(6-Amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol
CID 118161065
2-[5-[[6-(6-Amino-2-pyrazinyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(3-oxetanyl)-1-piperazinyl]phenoxy]ethanol
CID 118161073
2-[5-Fluoro-2-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-4-imidazo[1,2-a]pyridin-3-yl-2-(2-methoxy-4-pyrrolidin-1-ylanilino)pyrimidin-1-yl]ethanol
CID 91124462
5-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol
CID 91542671
tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-chloropyrazin-2-yl]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
CID 118185268
tert-butyl N-[6-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methylpyrazin-2-yl]imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
CID 118185269
tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
CID 118185279
tert-butyl tert-butoxycarbonyl(6-(8-((tert-butoxycarbonyl)(4-(4-(oxetan-3-yl)piperazin-1-yl)-3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)phenyl)amino)imidazo[1,2-a]pyrazin-6-yl)-3-methylpyrazin-2-yl)carbamate
CID 118187817
tert-butyl (6-(6-(bis(tert-butoxycarbonyl)amino)pyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl)(4-(4-(oxetan-3-yl)piperazin-1-yl)-3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)phenyl)carbamate
CID 118187923
tert-butyl N-[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[3-[2-(oxan-2-yloxy)ethoxy]-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate
CID 122646900
7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol
CID 123641240
2-[5-[[6-(6-Amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(4-cyclobutylpiperazin-1-yl)phenoxy]ethanol
CID 129255211

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde (CID 158742157) is 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde is C.CCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.I[V]I.Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1.O=CC(F)(F)F.[CH2-]C.
What is the InChIKey of 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde?
The InChIKey is VIXBDXODTKLVED-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H40N8O4.C25H29N9O3.C2HF3O.C2H5.CH4.2HI.V/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25;26-23-13-27-12-19(30-23)20-14-34-4-3-28-25(34)24(31-20)29-17-1-2-21(22(11-17)37-10-9-35)33-7-5-32(6-8-33)18-15-36-16-18;3-2(4,5)1-6;1-2;;;;/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3;1-4,11-14,18,35H,5-10,15-16H2,(H2,26,30)(H,29,31);1H;1H2,2H3;1H4;2*1H;/q;;;-1;;;;+2/p-2.
What are the key properties of 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde?
2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 1552.17 g/mol, XLogP of 10.27, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol;tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate;diiodovanadium;ethane;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158742157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).