(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile

C85H95N29O20 — CID 157164012

IUPAC(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile
SMILESCO[C@@]1(c2ccc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.CO[C@@]1(c2cnc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1cnc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ccnn12
InChIInChI=1S/C15H15N5O3.C15H18N4O4.C14H14N6O3.C14H17N5O4.C14H16N4O3.C13H15N5O3/c1-14(7-16)13(22)11(6-21)23-15(14,8-17)12-3-2-10-9(18)4-5-19-20(10)12;1-14(8-16)13(21)11(7-20)23-15(14,22-2)12-4-3-10-9(17)5-6-18-19(10)12;1-13(6-15)11(22)9(5-21)23-14(13,7-16)10-4-18-12-8(17)2-3-19-20(10)12;1-13(7-15)11(21)9(6-20)23-14(13,22-2)10-5-17-12-8(16)3-4-18-19(10)12;1-14(7-15)12(20)11(6-19)21-13(14)10-3-2-9-8(16)4-5-17-18(9)10;1-13(6-14)10(20)9(5-19)21-11(13)8-4-16-12-7(15)2-3-17-18(8)12/h2-5,11,13,21-22H,6,18H2,1H3;3-6,11,13,20-21H,7,17H2,1-2H3;2-4,9,11,21-22H,5,17H2,1H3;3-5,9,11,20-21H,6,16H2,1-2H3;2-5,11-13,19-20H,6,16H2,1H3;2-4,9-11,19-20H,5,15H2,1H3/t2*11-,13-,14-,15+;2*9-,11-,13-,14+;11-,12-,13+,14-;9-,10-,11+,13-/m111111/s1
InChIKeyAMRWNYXQWJHIAO-WDUWGUCYSA-N
MW1842.88 g/mol
LogP-1.51
Rot. Bonds14

About (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile

(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile (PubChem CID 157164012) has the molecular formula C85H95N29O20 and a molecular weight of 1842.88 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile
PubChem CID157164012
Molecular FormulaC85H95N29O20
Molecular Weight1842.88 g/mol
Exact Mass1841.73
IUPAC Name(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile
SMILESCO[C@@]1(c2ccc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.CO[C@@]1(c2cnc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1cnc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ccnn12
InChIInChI=1S/C15H15N5O3.C15H18N4O4.C14H14N6O3.C14H17N5O4.C14H16N4O3.C13H15N5O3/c1-14(7-16)13(22)11(6-21)23-15(14,8-17)12-3-2-10-9(18)4-5-19-20(10)12;1-14(8-16)13(21)11(7-20)23-15(14,22-2)12-4-3-10-9(17)5-6-18-19(10)12;1-13(6-15)11(22)9(5-21)23-14(13,7-16)10-4-18-12-8(17)2-3-19-20(10)12;1-13(7-15)11(21)9(6-20)23-14(13,22-2)10-5-17-12-8(16)3-4-18-19(10)12;1-14(7-15)12(20)11(6-19)21-13(14)10-3-2-9-8(16)4-5-17-18(9)10;1-13(6-14)10(20)9(5-19)21-11(13)8-4-16-12-7(15)2-3-17-18(8)12/h2-5,11,13,21-22H,6,18H2,1H3;3-6,11,13,20-21H,7,17H2,1-2H3;2-4,9,11,21-22H,5,17H2,1H3;3-5,9,11,20-21H,6,16H2,1-2H3;2-5,11-13,19-20H,6,16H2,1H3;2-4,9-11,19-20H,5,15H2,1H3/t2*11-,13-,14-,15+;2*9-,11-,13-,14+;11-,12-,13+,14-;9-,10-,11+,13-/m111111/s1
InChIKeyAMRWNYXQWJHIAO-WDUWGUCYSA-N
XLogP-1.51
TPSA805.51 Ų
H-Bond Donors18
H-Bond Acceptors49
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.88
LogP ≤ 5-1.51
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1049

Analyze (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile with MolForge

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Related Compounds

[(2R,3S,4R,5R)-5-cyano-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 4-heptadecoxybutyl hydrogen phosphate;[(2R,3S,4R,5R)-5-cyano-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl [(2R)-3-octadecoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]propyl] hydrogen phosphate;[(2R,3S,4R,5R)-5-cyano-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl [(2R)-3-octadecoxy-2-[[2-(trifluoromethyl)pyrimidin-5-yl]methoxy]propyl] hydrogen phosphate;[(2R,3S,4R,5R)-5-cyano-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 4-tetradecoxybutyl hydrogen phosphate
CID 163907649
bis[1-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl]-4,4-difluorocyclohexyl] carbonate
CID 176884872
bis[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl] [(2R)-3-octadecoxy-2-[[2-(trifluoromethyl)pyrimidin-5-yl]methoxy]propyl] phosphate
CID 177254852
bis[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl] [(2R)-3-octadecoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]propyl] phosphate
CID 177254935
[(2S,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3S,5R)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-(4-amino-5-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
CID 90694732
(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile
CID 91565638
(2S,3S,4S,5S)-2-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-azido-3,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4S,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 91606450
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3,4-dimethyl-3-phenylmethoxyoxolane-2-carbonitrile;(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 123190104
tris[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl] phosphate
CID 124122314
3-[(2R,4aR,6S,7S,7aS)-7-amino-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrazolo[1,5-a]pyrimidin-7-amine;[[(2R,3S,4R,5R)-4-amino-5-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-5-cyano-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-4-amino-5-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-4-amino-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-4-amino-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methane
CID 157057674
[(2S,3R,4S,5S)-5-(4-amino-5-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(4-amino-5-iodopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;(2S,3S,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-2-azido-5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-5-azido-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 157076384
(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(1,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-2-yl)oxolane-3,4-diol;2-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraene
CID 157122944

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile?
The IUPAC name of (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile (CID 157164012) is (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile.
What is the SMILES notation for (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile?
The canonical SMILES for (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile is CO[C@@]1(c2ccc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.CO[C@@]1(c2cnc3c(N)ccnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)C#N.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1cnc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ccnn12.C[C@@]1(C#N)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ccnn12.
What is the InChIKey of (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile?
The InChIKey is AMRWNYXQWJHIAO-WDUWGUCYSA-N. The full InChI is InChI=1S/C15H15N5O3.C15H18N4O4.C14H14N6O3.C14H17N5O4.C14H16N4O3.C13H15N5O3/c1-14(7-16)13(22)11(6-21)23-15(14,8-17)12-3-2-10-9(18)4-5-19-20(10)12;1-14(8-16)13(21)11(7-20)23-15(14,22-2)12-4-3-10-9(17)5-6-18-19(10)12;1-13(6-15)11(22)9(5-21)23-14(13,7-16)10-4-18-12-8(17)2-3-19-20(10)12;1-13(7-15)11(21)9(6-20)23-14(13,22-2)10-5-17-12-8(16)3-4-18-19(10)12;1-14(7-15)12(20)11(6-19)21-13(14)10-3-2-9-8(16)4-5-17-18(9)10;1-13(6-14)10(20)9(5-19)21-11(13)8-4-16-12-7(15)2-3-17-18(8)12/h2-5,11,13,21-22H,6,18H2,1H3;3-6,11,13,20-21H,7,17H2,1-2H3;2-4,9,11,21-22H,5,17H2,1H3;3-5,9,11,20-21H,6,16H2,1-2H3;2-5,11-13,19-20H,6,16H2,1H3;2-4,9-11,19-20H,5,15H2,1H3/t2*11-,13-,14-,15+;2*9-,11-,13-,14+;11-,12-,13+,14-;9-,10-,11+,13-/m111111/s1.
What are the key properties of (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile?
(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile has a molecular weight of 1842.88 g/mol, XLogP of -1.51, 14 rotatable bonds, 18 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile;(2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile is sourced from PubChem (CID 157164012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).