1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate

C105H124N24O12 — CID 159950199

IUPAC1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate
SMILESCC(C)n1ncc2c(NC(=O)OCc3ccccc3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NCc3cnc4ccccn34)cc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cccc(-c2cc(N3CCC(C(=O)OC)CC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3cnc4ccccn34)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C27H31N7O2.C26H29N7O2.C26H35N5O4.C26H29N5O4/c1-18(2)34-27-23(16-31-34)25(29-13-20-14-30-26-9-4-5-10-33(20)26)12-24(32-27)19-7-6-8-22(11-19)36-17-21(35)15-28-3;1-17(2)33-26-22(15-30-33)24(28-13-19-14-29-25-8-3-4-9-32(19)25)11-23(31-26)18-6-5-7-21(10-18)35-16-20(34)12-27;1-17(2)31-25-22(15-28-31)24(30-10-8-18(9-11-30)26(33)34-4)13-23(29-25)19-6-5-7-21(12-19)35-16-20(32)14-27-3;1-17(2)31-25-22(14-28-31)24(30-26(33)35-15-18-7-4-3-5-8-18)12-23(29-25)19-9-6-10-21(11-19)34-16-20(32)13-27/h4-12,14,16,18,21,28,35H,13,15,17H2,1-3H3,(H,29,32);3-11,14-15,17,20,34H,12-13,16,27H2,1-2H3,(H,28,31);5-7,12-13,15,17-18,20,27,32H,8-11,14,16H2,1-4H3;3-12,14,17,20,32H,13,15-16,27H2,1-2H3,(H,29,30,33)
InChIKeyOBZXLMKKAUMOQO-UHFFFAOYSA-N
MW1914.30 g/mol
LogP14.69
Rot. Bonds37

About 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate

1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate (PubChem CID 159950199) has the molecular formula C105H124N24O12 and a molecular weight of 1914.30 g/mol. Its IUPAC name is 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate
PubChem CID159950199
Molecular FormulaC105H124N24O12
Molecular Weight1914.30 g/mol
Exact Mass1912.98
IUPAC Name1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate
SMILESCC(C)n1ncc2c(NC(=O)OCc3ccccc3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NCc3cnc4ccccn34)cc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cccc(-c2cc(N3CCC(C(=O)OC)CC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3cnc4ccccn34)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C27H31N7O2.C26H29N7O2.C26H35N5O4.C26H29N5O4/c1-18(2)34-27-23(16-31-34)25(29-13-20-14-30-26-9-4-5-10-33(20)26)12-24(32-27)19-7-6-8-22(11-19)36-17-21(35)15-28-3;1-17(2)33-26-22(15-30-33)24(28-13-19-14-29-25-8-3-4-9-32(19)25)11-23(31-26)18-6-5-7-21(10-18)35-16-20(34)12-27;1-17(2)31-25-22(15-28-31)24(30-10-8-18(9-11-30)26(33)34-4)13-23(29-25)19-6-5-7-21(12-19)35-16-20(32)14-27-3;1-17(2)31-25-22(14-28-31)24(30-26(33)35-15-18-7-4-3-5-8-18)12-23(29-25)19-9-6-10-21(11-19)34-16-20(32)13-27/h4-12,14,16,18,21,28,35H,13,15,17H2,1-3H3,(H,29,32);3-11,14-15,17,20,34H,12-13,16,27H2,1-2H3,(H,28,31);5-7,12-13,15,17-18,20,27,32H,8-11,14,16H2,1-4H3;3-12,14,17,20,32H,13,15-16,27H2,1-2H3,(H,29,30,33)
InChIKeyOBZXLMKKAUMOQO-UHFFFAOYSA-N
XLogP14.69
TPSA443.31 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.30
LogP ≤ 514.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
(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
1-[6-(dimethylamino)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2-piperidin-3-ylethanone;6-(2-hydroxyethylamino)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-6-[methyl(2-methylpropyl)amino]-N-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carboxamide;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-3-ylethanone;2-phenyl-1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone;1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 157874743
5-(ethoxymethyl)-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole;5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole;3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole;[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanol;[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl acetate;N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 157950859
1-[3-[(2S)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea;1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[2-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea;1-[5-(methoxymethyl)-4-methyl-2-phenylpyrazol-3-yl]-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea;1-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 157957183
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
1-[3-Chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 159341057
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
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
7-[[4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[2-(dimethylamino)ethoxy]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-methoxybutan-2-yloxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-piperidin-4-ylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160189772
2-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-2-ol;2-methyl-1-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]propan-2-ol;trans-(1R,3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol;bis(4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclobutan-1-ol;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-ol
CID 160284052

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate?
The IUPAC name of 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate (CID 159950199) is 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate is CC(C)n1ncc2c(NC(=O)OCc3ccccc3)cc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NCc3cnc4ccccn34)cc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cccc(-c2cc(N3CCC(C(=O)OC)CC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3cnc4ccccn34)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate?
The InChIKey is OBZXLMKKAUMOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C26H29N7O2.C26H35N5O4.C26H29N5O4/c1-18(2)34-27-23(16-31-34)25(29-13-20-14-30-26-9-4-5-10-33(20)26)12-24(32-27)19-7-6-8-22(11-19)36-17-21(35)15-28-3;1-17(2)33-26-22(15-30-33)24(28-13-19-14-29-25-8-3-4-9-32(19)25)11-23(31-26)18-6-5-7-21(10-18)35-16-20(34)12-27;1-17(2)31-25-22(15-28-31)24(30-10-8-18(9-11-30)26(33)34-4)13-23(29-25)19-6-5-7-21(12-19)35-16-20(32)14-27-3;1-17(2)31-25-22(14-28-31)24(30-26(33)35-15-18-7-4-3-5-8-18)12-23(29-25)19-9-6-10-21(11-19)34-16-20(32)13-27/h4-12,14,16,18,21,28,35H,13,15,17H2,1-3H3,(H,29,32);3-11,14-15,17,20,34H,12-13,16,27H2,1-2H3,(H,28,31);5-7,12-13,15,17-18,20,27,32H,8-11,14,16H2,1-4H3;3-12,14,17,20,32H,13,15-16,27H2,1-2H3,(H,29,30,33).
What are the key properties of 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate?
1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate has a molecular weight of 1914.30 g/mol, XLogP of 14.69, 37 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 159950199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).