dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide

C158H206Cl4KLi2N45O37S2 — CID 159314038

IUPACdilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide
SMILESCC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CNC[C@H]1O.CCO.CCOCC(=O)N[C@@H]1CC(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CCOCC(=O)N[C@@H]1CC(c2ccnc3c2c(-c2ccnc(N)n2)cn3S(=O)(=O)c2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CNC[C@H]1O.CN(O)[N-]O.N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.N[N-]O.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.O=C(CCl)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.O=C(Cl)CCl.[H][H].[H][H].[K+].[Li+].[Li+].[OH-]
InChIInChI=1S/C26H28N6O5S.C20H24N6O3.C17H12ClN5O2S.2C17H19N7O2.C16H22N2O5.C14H17ClN2O4.C12H16N2O3.C8H16N2O3.C6H12N2O2.C2H2Cl2O.C2H6O.CH5N2O2.K.2Li.H3N2O.H2O.2H2/c1-2-37-15-23(34)30-21-12-16(13-22(21)33)18-8-10-28-25-24(18)19(20-9-11-29-26(27)31-20)14-32(25)38(35,36)17-6-4-3-5-7-17;1-2-29-10-17(28)25-15-7-11(8-16(15)27)12-3-5-22-19-18(12)13(9-24-19)14-4-6-23-20(21)26-14;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;2*1-9(25)22-12-7-24(8-14(12)26)13-3-5-19-16-15(13)10(6-21-16)11-2-4-20-17(18)23-11;1-2-22-11-15(20)17-13-8-18(9-14(13)19)16(21)23-10-12-6-4-3-5-7-12;15-6-13(19)16-11-7-17(8-12(11)18)14(20)21-9-10-4-2-1-3-5-10;13-10-6-14(7-11(10)15)12(16)17-8-9-4-2-1-3-5-9;1-2-13-5-8(12)10-6-3-9-4-7(6)11;1-4(9)8-5-2-7-3-6(5)10;3-1-2(4)5;1-2-3;1-3(5)2-4;;;;1-2-3;;;/h3-11,14,16,21-22,33H,2,12-13,15H2,1H3,(H,30,34)(H2,27,29,31);3-6,9,11,15-16,27H,2,7-8,10H2,1H3,(H,22,24)(H,25,28)(H2,21,23,26);1-10H,(H2,19,21,22);2*2-6,12,14,26H,7-8H2,1H3,(H,19,21)(H,22,25)(H2,18,20,23);3-7,13-14,19H,2,8-11H2,1H3,(H,17,20);1-5,11-12,18H,6-9H2,(H,16,19);1-5,10-11,15H,6-8,13H2;6-7,9,11H,2-5H2,1H3,(H,10,12);5-7,10H,2-3H2,1H3,(H,8,9);1H2;3H,2H2,1H3;4-5H,1H3;;;;3H,1H2;1H2;2*1H/q;;;;;;;;;;;;-1;3*+1;-1;;;/p-1/t16?,21-,22-;11?,15-,16-;;2*12-,14-;13-,14-;11-,12-;10-,11-;6-,7-;5-,6-;;;;;;;;;;/m11.1111111........../s1
InChIKeyLCXHPANSXLHICL-PNZSZWEMSA-M
MW3586.59 g/mol
LogP-2.60
Rot. Bonds42

About dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide

dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide (PubChem CID 159314038) has the molecular formula C158H206Cl4KLi2N45O37S2 and a molecular weight of 3586.59 g/mol. Its IUPAC name is dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide.

Molecular Properties

Compound Namedilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide
PubChem CID159314038
Molecular FormulaC158H206Cl4KLi2N45O37S2
Molecular Weight3586.59 g/mol
Exact Mass3582.38
IUPAC Namedilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide
SMILESCC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CNC[C@H]1O.CCO.CCOCC(=O)N[C@@H]1CC(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CCOCC(=O)N[C@@H]1CC(c2ccnc3c2c(-c2ccnc(N)n2)cn3S(=O)(=O)c2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CNC[C@H]1O.CN(O)[N-]O.N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.N[N-]O.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.O=C(CCl)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.O=C(Cl)CCl.[H][H].[H][H].[K+].[Li+].[Li+].[OH-]
InChIInChI=1S/C26H28N6O5S.C20H24N6O3.C17H12ClN5O2S.2C17H19N7O2.C16H22N2O5.C14H17ClN2O4.C12H16N2O3.C8H16N2O3.C6H12N2O2.C2H2Cl2O.C2H6O.CH5N2O2.K.2Li.H3N2O.H2O.2H2/c1-2-37-15-23(34)30-21-12-16(13-22(21)33)18-8-10-28-25-24(18)19(20-9-11-29-26(27)31-20)14-32(25)38(35,36)17-6-4-3-5-7-17;1-2-29-10-17(28)25-15-7-11(8-16(15)27)12-3-5-22-19-18(12)13(9-24-19)14-4-6-23-20(21)26-14;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;2*1-9(25)22-12-7-24(8-14(12)26)13-3-5-19-16-15(13)10(6-21-16)11-2-4-20-17(18)23-11;1-2-22-11-15(20)17-13-8-18(9-14(13)19)16(21)23-10-12-6-4-3-5-7-12;15-6-13(19)16-11-7-17(8-12(11)18)14(20)21-9-10-4-2-1-3-5-10;13-10-6-14(7-11(10)15)12(16)17-8-9-4-2-1-3-5-9;1-2-13-5-8(12)10-6-3-9-4-7(6)11;1-4(9)8-5-2-7-3-6(5)10;3-1-2(4)5;1-2-3;1-3(5)2-4;;;;1-2-3;;;/h3-11,14,16,21-22,33H,2,12-13,15H2,1H3,(H,30,34)(H2,27,29,31);3-6,9,11,15-16,27H,2,7-8,10H2,1H3,(H,22,24)(H,25,28)(H2,21,23,26);1-10H,(H2,19,21,22);2*2-6,12,14,26H,7-8H2,1H3,(H,19,21)(H,22,25)(H2,18,20,23);3-7,13-14,19H,2,8-11H2,1H3,(H,17,20);1-5,11-12,18H,6-9H2,(H,16,19);1-5,10-11,15H,6-8,13H2;6-7,9,11H,2-5H2,1H3,(H,10,12);5-7,10H,2-3H2,1H3,(H,8,9);1H2;3H,2H2,1H3;4-5H,1H3;;;;3H,1H2;1H2;2*1H/q;;;;;;;;;;;;-1;3*+1;-1;;;/p-1/t16?,21-,22-;11?,15-,16-;;2*12-,14-;13-,14-;11-,12-;10-,11-;6-,7-;5-,6-;;;;;;;;;;/m11.1111111........../s1
InChIKeyLCXHPANSXLHICL-PNZSZWEMSA-M
XLogP-2.60
TPSA1231.38 Ų
H-Bond Donors33
H-Bond Acceptors66
Rotatable Bonds42
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003586.59
LogP ≤ 5-2.60
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1066

Analyze dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;[(3R,4S)-4-(aminomethyl)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl] tert-butyl carbonate;(3R,4S)-4-(aminomethyl)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol;[(3R,4S)-4-(aminomethyl)pyrrolidin-3-yl] tert-butyl carbonate;azane;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl 2,5-dihydropyrrole-1-carboxylate;benzyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;benzyl (3S,4S)-3-isocyano-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethylalumanylformonitrile;dioxirane;hydroxy-[hydroxy(methyl)amino]azanide;methane
CID 157446207
lithium;sodium;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[1-(benzenesulfonyl)-4-[(2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-azido-4-prop-2-ynoxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-azido-4-(trioxidanyl)pyrrolidine-1-carboxylate;benzyl (2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxylate;3-bromoprop-1-yne;hydride;hydroxy-[hydroxy(methyl)amino]azanide;methane;methanol;(2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene;4-[4-[(2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 157976180
sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane
CID 161249582
lithium;(3S,4S)-4-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl 3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-hydroxypiperidin-4-yl]carbamate;tert-butyl N-[(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-hydroxypiperidin-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-hydroxypiperidin-4-yl]carbamate;hydroxy-[hydroxy(methyl)amino]azanide
CID 161497986
lithium;[(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-fluoropyrrolidin-3-yl] tert-butyl carbonate;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-fluoropyrrolidin-3-ol;azane;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate;benzyl (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl [(3S,4S)-4-fluoropyrrolidin-3-yl] carbonate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;dioxirane;hydroxy-[hydroxy(methyl)amino]azanide;hydrofluoride
CID 161961762

Frequently Asked Questions

What is the IUPAC name of dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide?
The IUPAC name of dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide (CID 159314038) is dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide.
What is the SMILES notation for dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide?
The canonical SMILES for dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide is CC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CC(=O)N[C@@H]1CNC[C@H]1O.CCO.CCOCC(=O)N[C@@H]1CC(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@H]1O.CCOCC(=O)N[C@@H]1CC(c2ccnc3c2c(-c2ccnc(N)n2)cn3S(=O)(=O)c2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.CCOCC(=O)N[C@@H]1CNC[C@H]1O.CN(O)[N-]O.N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.N[N-]O.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.O=C(CCl)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O.O=C(Cl)CCl.[H][H].[H][H].[K+].[Li+].[Li+].[OH-].
What is the InChIKey of dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide?
The InChIKey is LCXHPANSXLHICL-PNZSZWEMSA-M. The full InChI is InChI=1S/C26H28N6O5S.C20H24N6O3.C17H12ClN5O2S.2C17H19N7O2.C16H22N2O5.C14H17ClN2O4.C12H16N2O3.C8H16N2O3.C6H12N2O2.C2H2Cl2O.C2H6O.CH5N2O2.K.2Li.H3N2O.H2O.2H2/c1-2-37-15-23(34)30-21-12-16(13-22(21)33)18-8-10-28-25-24(18)19(20-9-11-29-26(27)31-20)14-32(25)38(35,36)17-6-4-3-5-7-17;1-2-29-10-17(28)25-15-7-11(8-16(15)27)12-3-5-22-19-18(12)13(9-24-19)14-4-6-23-20(21)26-14;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;2*1-9(25)22-12-7-24(8-14(12)26)13-3-5-19-16-15(13)10(6-21-16)11-2-4-20-17(18)23-11;1-2-22-11-15(20)17-13-8-18(9-14(13)19)16(21)23-10-12-6-4-3-5-7-12;15-6-13(19)16-11-7-17(8-12(11)18)14(20)21-9-10-4-2-1-3-5-10;13-10-6-14(7-11(10)15)12(16)17-8-9-4-2-1-3-5-9;1-2-13-5-8(12)10-6-3-9-4-7(6)11;1-4(9)8-5-2-7-3-6(5)10;3-1-2(4)5;1-2-3;1-3(5)2-4;;;;1-2-3;;;/h3-11,14,16,21-22,33H,2,12-13,15H2,1H3,(H,30,34)(H2,27,29,31);3-6,9,11,15-16,27H,2,7-8,10H2,1H3,(H,22,24)(H,25,28)(H2,21,23,26);1-10H,(H2,19,21,22);2*2-6,12,14,26H,7-8H2,1H3,(H,19,21)(H,22,25)(H2,18,20,23);3-7,13-14,19H,2,8-11H2,1H3,(H,17,20);1-5,11-12,18H,6-9H2,(H,16,19);1-5,10-11,15H,6-8,13H2;6-7,9,11H,2-5H2,1H3,(H,10,12);5-7,10H,2-3H2,1H3,(H,8,9);1H2;3H,2H2,1H3;4-5H,1H3;;;;3H,1H2;1H2;2*1H/q;;;;;;;;;;;;-1;3*+1;-1;;;/p-1/t16?,21-,22-;11?,15-,16-;;2*12-,14-;13-,14-;11-,12-;10-,11-;6-,7-;5-,6-;;;;;;;;;;/m11.1111111........../s1.
What are the key properties of dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide?
dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide has a molecular weight of 3586.59 g/mol, XLogP of -2.60, 42 rotatable bonds, 33 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;potassium;amino(hydroxy)azanide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;N-[(1R,2R)-4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-hydroxycyclopentyl]-2-ethoxyacetamide;bis(N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidin-3-yl]acetamide);4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-chloroacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[(2-ethoxyacetyl)amino]-4-hydroxypyrrolidine-1-carboxylate;2-chloroacetyl chloride;ethanol;2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;hydroxy-[hydroxy(methyl)amino]azanide;N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide;molecular hydrogen;hydroxide is sourced from PubChem (CID 159314038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).