1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol

C136H183N35O19 — CID 158427880

IUPAC1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NC3CCOC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3[C@@H]4CC[C@H]3COC4)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1
InChIInChI=1S/C24H30N6O3.C24H34N6O3.C24H33N5O4.C22H30N6O3.2C21H28N6O3/c1-25-10-19(31)14-33-20-4-2-3-15(9-20)22-27-23(29-17-7-8-18(29)13-32-12-17)21-11-26-30(16-5-6-16)24(21)28-22;1-24(2,3)30-23-20(14-26-30)22(27-17-8-10-32-11-9-17)28-21(29-23)16-6-5-7-19(12-16)33-15-18(31)13-25-4;1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3;1-15(2)28-22-19(13-24-28)21(27-7-9-30-10-8-27)25-20(26-22)16-5-4-6-18(11-16)31-14-17(29)12-23-3;1-14(2)27-21-18(12-23-27)20(26-6-8-29-9-7-26)24-19(25-21)15-4-3-5-17(10-15)30-13-16(28)11-22;1-13(2)27-21-18(10-23-27)20(24-15-6-7-29-11-15)25-19(26-21)14-4-3-5-17(8-14)30-12-16(28)9-22/h2-4,9,11,16-19,25,31H,5-8,10,12-14H2,1H3;5-7,12,14,17-18,25,31H,8-11,13,15H2,1-4H3,(H,27,28,29);9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3;4-6,11,13,15,17,23,29H,7-10,12,14H2,1-3H3;3-5,10,12,14,16,28H,6-9,11,13,22H2,1-2H3;3-5,8,10,13,15-16,28H,6-7,9,11-12,22H2,1-2H3,(H,24,25,26)/t17-,18+,19?;;;;;
InChIKeyHBGZFAXLIXZFRX-AHMFYFRUSA-N
MW2612.19 g/mol
LogP12.89
Rot. Bonds48

About 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol

1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol (PubChem CID 158427880) has the molecular formula C136H183N35O19 and a molecular weight of 2612.19 g/mol. Its IUPAC name is 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol
PubChem CID158427880
Molecular FormulaC136H183N35O19
Molecular Weight2612.19 g/mol
Exact Mass2610.44
IUPAC Name1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NC3CCOC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3[C@@H]4CC[C@H]3COC4)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1
InChIInChI=1S/C24H30N6O3.C24H34N6O3.C24H33N5O4.C22H30N6O3.2C21H28N6O3/c1-25-10-19(31)14-33-20-4-2-3-15(9-20)22-27-23(29-17-7-8-18(29)13-32-12-17)21-11-26-30(16-5-6-16)24(21)28-22;1-24(2,3)30-23-20(14-26-30)22(27-17-8-10-32-11-9-17)28-21(29-23)16-6-5-7-19(12-16)33-15-18(31)13-25-4;1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3;1-15(2)28-22-19(13-24-28)21(27-7-9-30-10-8-27)25-20(26-22)16-5-4-6-18(11-16)31-14-17(29)12-23-3;1-14(2)27-21-18(12-23-27)20(26-6-8-29-9-7-26)24-19(25-21)15-4-3-5-17(10-15)30-13-16(28)11-22;1-13(2)27-21-18(10-23-27)20(24-15-6-7-29-11-15)25-19(26-21)14-4-3-5-17(8-14)30-12-16(28)9-22/h2-4,9,11,16-19,25,31H,5-8,10,12-14H2,1H3;5-7,12,14,17-18,25,31H,8-11,13,15H2,1-4H3,(H,27,28,29);9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3;4-6,11,13,15,17,23,29H,7-10,12,14H2,1-3H3;3-5,10,12,14,16,28H,6-9,11,13,22H2,1-2H3;3-5,8,10,13,15-16,28H,6-7,9,11-12,22H2,1-2H3,(H,24,25,26)/t17-,18+,19?;;;;;
InChIKeyHBGZFAXLIXZFRX-AHMFYFRUSA-N
XLogP12.89
TPSA627.26 Ų
H-Bond Donors14
H-Bond Acceptors54
Rotatable Bonds48
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002612.19
LogP ≤ 512.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1054

Analyze 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

2-[4-[3-[[3-[4-[4-[3-[[3-[2-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]propoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]oxy-2,6-difluoro-5-methoxyphenyl]methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol
CID 146304384
3-[4-[3-[[3-[3-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]propoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]propane-1,2-diol
CID 156392825
4-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazin-4-amine
CID 157078987
(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
5-[[(1S,5R)-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 158086250
5-[[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4,4-difluoro-1-methylpiperidin-2-yl)methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 158086251
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
12-[3,5-dimethoxy-4-(piperidin-1-ylmethyl)phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[[4-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]phenyl]methyl]morpholine;4-(1-methylpyrazol-4-yl)-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 160077284
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
5-(4-deuterio-3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[4-deuterio-3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(trideuteriomethoxy)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
CID 161619493

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol (CID 158427880) is 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol is CC(C)n1ncc2c(N3CCOCC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CC(C)n1ncc2c(NC3CCOC3)nc(-c3cccc(OCC(O)CN)c3)nc21.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(N3[C@@H]4CC[C@H]3COC4)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1.
What is the InChIKey of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol?
The InChIKey is HBGZFAXLIXZFRX-AHMFYFRUSA-N. The full InChI is InChI=1S/C24H30N6O3.C24H34N6O3.C24H33N5O4.C22H30N6O3.2C21H28N6O3/c1-25-10-19(31)14-33-20-4-2-3-15(9-20)22-27-23(29-17-7-8-18(29)13-32-12-17)21-11-26-30(16-5-6-16)24(21)28-22;1-24(2,3)30-23-20(14-26-30)22(27-17-8-10-32-11-9-17)28-21(29-23)16-6-5-7-19(12-16)33-15-18(31)13-25-4;1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3;1-15(2)28-22-19(13-24-28)21(27-7-9-30-10-8-27)25-20(26-22)16-5-4-6-18(11-16)31-14-17(29)12-23-3;1-14(2)27-21-18(12-23-27)20(26-6-8-29-9-7-26)24-19(25-21)15-4-3-5-17(10-15)30-13-16(28)11-22;1-13(2)27-21-18(10-23-27)20(24-15-6-7-29-11-15)25-19(26-21)14-4-3-5-17(8-14)30-12-16(28)9-22/h2-4,9,11,16-19,25,31H,5-8,10,12-14H2,1H3;5-7,12,14,17-18,25,31H,8-11,13,15H2,1-4H3,(H,27,28,29);9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3;4-6,11,13,15,17,23,29H,7-10,12,14H2,1-3H3;3-5,10,12,14,16,28H,6-9,11,13,22H2,1-2H3;3-5,8,10,13,15-16,28H,6-7,9,11-12,22H2,1-2H3,(H,24,25,26)/t17-,18+,19?;;;;;.
What are the key properties of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol?
1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol has a molecular weight of 2612.19 g/mol, XLogP of 12.89, 48 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-[4-(oxolan-3-ylamino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;1-[3-[1-tert-butyl-4-(oxan-4-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-methoxy-5-(4-morpholin-4-yl-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-d]pyrimidin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 158427880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).