1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane

C126H169N33O18S — CID 158539760

IUPAC1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OC[C@@H](O)CN)c3)nc21.CNC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.CNCC(O)COc1cccc(-c2cc(NC(=O)NC)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCN)c3cnn(C(C)C)c3n2)c1.COC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.S
InChIInChI=1S/2C22H29N5O3.C21H28N6O3.C21H30N6O2.C20H26N6O3.C20H25N5O4.H2S/c2*1-15(2)27-22-19(13-24-27)21(26-6-8-29-9-7-26)11-20(25-22)16-4-3-5-18(10-16)30-14-17(28)12-23;1-13(2)27-20-17(11-24-27)19(26-21(29)23-4)9-18(25-20)14-6-5-7-16(8-14)30-12-15(28)10-22-3;1-14(2)27-21-18(12-25-27)20(24-8-7-22)10-19(26-21)15-5-4-6-17(9-15)29-13-16(28)11-23-3;1-12(2)26-19-16(10-23-26)18(25-20(28)22-3)8-17(24-19)13-5-4-6-15(7-13)29-11-14(27)9-21;1-12(2)25-19-16(10-22-25)18(24-20(27)28-3)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21;/h2*3-5,10-11,13,15,17,28H,6-9,12,14,23H2,1-2H3;5-9,11,13,15,22,28H,10,12H2,1-4H3,(H2,23,25,26,29);4-6,9-10,12,14,16,23,28H,7-8,11,13,22H2,1-3H3,(H,24,26);4-8,10,12,14,27H,9,11,21H2,1-3H3,(H2,22,24,25,28);4-8,10,12,14,26H,9,11,21H2,1-3H3,(H,23,24,27);1H2/t17-;;;;;;/m0....../s1
InChIKeyHOJLDEDCNHGIDG-RZSSRHINSA-N
MW2466.02 g/mol
LogP13.62
Rot. Bonds46

About 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane

1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane (PubChem CID 158539760) has the molecular formula C126H169N33O18S and a molecular weight of 2466.02 g/mol. Its IUPAC name is 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane.

Molecular Properties

Compound Name1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane
PubChem CID158539760
Molecular FormulaC126H169N33O18S
Molecular Weight2466.02 g/mol
Exact Mass2464.30
IUPAC Name1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OC[C@@H](O)CN)c3)nc21.CNC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.CNCC(O)COc1cccc(-c2cc(NC(=O)NC)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCN)c3cnn(C(C)C)c3n2)c1.COC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.S
InChIInChI=1S/2C22H29N5O3.C21H28N6O3.C21H30N6O2.C20H26N6O3.C20H25N5O4.H2S/c2*1-15(2)27-22-19(13-24-27)21(26-6-8-29-9-7-26)11-20(25-22)16-4-3-5-18(10-16)30-14-17(28)12-23;1-13(2)27-20-17(11-24-27)19(26-21(29)23-4)9-18(25-20)14-6-5-7-16(8-14)30-12-15(28)10-22-3;1-14(2)27-21-18(12-25-27)20(24-8-7-22)10-19(26-21)15-5-4-6-17(9-15)29-13-16(28)11-23-3;1-12(2)26-19-16(10-23-26)18(25-20(28)22-3)8-17(24-19)13-5-4-6-15(7-13)29-11-14(27)9-21;1-12(2)25-19-16(10-22-25)18(24-20(27)28-3)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21;/h2*3-5,10-11,13,15,17,28H,6-9,12,14,23H2,1-2H3;5-9,11,13,15,22,28H,10,12H2,1-4H3,(H2,23,25,26,29);4-6,9-10,12,14,16,23,28H,7-8,11,13,22H2,1-3H3,(H,24,26);4-8,10,12,14,27H,9,11,21H2,1-3H3,(H2,22,24,25,28);4-8,10,12,14,26H,9,11,21H2,1-3H3,(H,23,24,27);1H2/t17-;;;;;;/m0....../s1
InChIKeyHOJLDEDCNHGIDG-RZSSRHINSA-N
XLogP13.62
TPSA672.74 Ų
H-Bond Donors19
H-Bond Acceptors46
Rotatable Bonds46
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.02
LogP ≤ 513.62
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1046

Analyze 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-amino-3-[3-[(2R)-3-amino-2-hydroxypropoxy]-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol;1-[3-methoxy-5-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol
CID 157813002
carbon dioxide;1-[3-(5-ethyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N,3-trimethyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]-5-(pyridin-3-ylmethoxy)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]-5-(trifluoromethoxy)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenoxy]propan-2-ol
CID 158960359
1-[3-[4-(2-amino-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxolan-3-ylmethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 159473722
1-[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[(3R)-3-methoxypyrrolidin-1-yl]-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]amino]-6-pentylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 159600716
1-Tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;2-[[9-ethyl-6-(3-fluoroanilino)purin-2-yl]amino]-2-methylpropan-1-ol;2-[[9-ethyl-6-[4-[2-(2-methoxyethylamino)ethoxy]anilino]purin-2-yl]amino]-2-methylpropan-1-ol;4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexan-1-ol;7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160587840
2-[4-[1-[4-(2,3-Difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[1-[4-(2,5-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(ethylamino)-1-[4-(4-fluorophenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(ethylamino)-1-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol
CID 163575117
3-(2-ethoxypyrimidin-5-yl)-N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide;(2R)-1-[4-[6-(ethylamino)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;N-ethyl-3-(2-ethylpyrimidin-5-yl)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[2-(propan-2-ylamino)pyrimidin-5-yl]pyrazolo[4,3-c]pyridin-6-amine
CID 163797554
4-cyclopropyl-3-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-5-one;N-[(1R)-1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(2-ethyl-5-fluoro-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethoxy]imidazo[1,2-a]pyrimidin-7-amine
CID 164967651
1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165015139
3-[2-[[5-[2-[3-[2-[2-[[5-[[[3-Ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]propyl]-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]methylamino]pyrimidin-4-yl]-4-(1-fluoroethyl)-1,3-oxazolidin-2-one;sulfane
CID 168195437
tert-butyl N-[(3R,4R)-1-[6-[[1-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 168196587
tert-butyl N-[(3R,4R)-1-[6-[[1-[3-[4-[3-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]propyl]-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]carbamate
CID 168196663

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane?
The IUPAC name of 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane (CID 158539760) is 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane.
What is the SMILES notation for 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane?
The canonical SMILES for 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane is CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OC[C@@H](O)CN)c3)nc21.CNC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.CNCC(O)COc1cccc(-c2cc(NC(=O)NC)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCN)c3cnn(C(C)C)c3n2)c1.COC(=O)Nc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.S.
What is the InChIKey of 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane?
The InChIKey is HOJLDEDCNHGIDG-RZSSRHINSA-N. The full InChI is InChI=1S/2C22H29N5O3.C21H28N6O3.C21H30N6O2.C20H26N6O3.C20H25N5O4.H2S/c2*1-15(2)27-22-19(13-24-27)21(26-6-8-29-9-7-26)11-20(25-22)16-4-3-5-18(10-16)30-14-17(28)12-23;1-13(2)27-20-17(11-24-27)19(26-21(29)23-4)9-18(25-20)14-6-5-7-16(8-14)30-12-15(28)10-22-3;1-14(2)27-21-18(12-25-27)20(24-8-7-22)10-19(26-21)15-5-4-6-17(9-15)29-13-16(28)11-23-3;1-12(2)26-19-16(10-23-26)18(25-20(28)22-3)8-17(24-19)13-5-4-6-15(7-13)29-11-14(27)9-21;1-12(2)25-19-16(10-22-25)18(24-20(27)28-3)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21;/h2*3-5,10-11,13,15,17,28H,6-9,12,14,23H2,1-2H3;5-9,11,13,15,22,28H,10,12H2,1-4H3,(H2,23,25,26,29);4-6,9-10,12,14,16,23,28H,7-8,11,13,22H2,1-3H3,(H,24,26);4-8,10,12,14,27H,9,11,21H2,1-3H3,(H2,22,24,25,28);4-8,10,12,14,26H,9,11,21H2,1-3H3,(H,23,24,27);1H2/t17-;;;;;;/m0....../s1.
What are the key properties of 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane?
1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane has a molecular weight of 2466.02 g/mol, XLogP of 13.62, 46 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane is sourced from PubChem (CID 158539760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).