1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

C123H153N37O12 — CID 158192993

IUPAC1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3cc(C)nn3C)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3ccn(C)n3)c3cnn(C(C)(C)C)c3n2)c1.Cc1cc(C)c(CNc2nc(-c3cccc(OCC(O)CN)c3)nc3c2cnn3C2CC2)c(=O)[nH]1.NCC(O)COc1cccc(-c2nc(NCc3cccc4ccnn34)c3cnn(C4CC4)c3n2)c1
InChIInChI=1S/C25H26N8O2.C25H29N7O3.C25H36N6O3.C24H30N8O2.C24H32N8O2/c26-12-20(34)15-35-21-6-1-3-16(11-21)23-30-24(22-14-29-33(18-7-8-18)25(22)31-23)27-13-19-5-2-4-17-9-10-28-32(17)19;1-14-8-15(2)29-25(34)20(14)11-27-23-21-12-28-32(17-6-7-17)24(21)31-22(30-23)16-4-3-5-19(9-16)35-13-18(33)10-26;1-25(2,3)31-24-21(15-27-31)23(30(5)18-9-11-33-12-10-18)28-22(29-24)17-7-6-8-20(13-17)34-16-19(32)14-26-4;1-15-9-18(31(3)30-15)11-26-23-21-13-27-32(17-7-8-17)24(21)29-22(28-23)16-5-4-6-20(10-16)34-14-19(33)12-25-2;1-24(2,3)32-23-20(14-27-32)22(26-12-17-9-10-31(5)30-17)28-21(29-23)16-7-6-8-19(11-16)34-15-18(33)13-25-4/h1-6,9-11,14,18,20,34H,7-8,12-13,15,26H2,(H,27,30,31);3-5,8-9,12,17-18,33H,6-7,10-11,13,26H2,1-2H3,(H,29,34)(H,27,30,31);6-8,13,15,18-19,26,32H,9-12,14,16H2,1-5H3;4-6,9-10,13,17,19,25,33H,7-8,11-12,14H2,1-3H3,(H,26,28,29);6-11,14,18,25,33H,12-13,15H2,1-5H3,(H,26,28,29)
InChIKeyFZZMVXKEQWDJRT-UHFFFAOYSA-N
MW2341.82 g/mol
LogP13.05
Rot. Bonds45

About 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 158192993) has the molecular formula C123H153N37O12 and a molecular weight of 2341.82 g/mol. Its IUPAC name is 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID158192993
Molecular FormulaC123H153N37O12
Molecular Weight2341.82 g/mol
Exact Mass2340.25
IUPAC Name1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3cc(C)nn3C)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3ccn(C)n3)c3cnn(C(C)(C)C)c3n2)c1.Cc1cc(C)c(CNc2nc(-c3cccc(OCC(O)CN)c3)nc3c2cnn3C2CC2)c(=O)[nH]1.NCC(O)COc1cccc(-c2nc(NCc3cccc4ccnn34)c3cnn(C4CC4)c3n2)c1
InChIInChI=1S/C25H26N8O2.C25H29N7O3.C25H36N6O3.C24H30N8O2.C24H32N8O2/c26-12-20(34)15-35-21-6-1-3-16(11-21)23-30-24(22-14-29-33(18-7-8-18)25(22)31-23)27-13-19-5-2-4-17-9-10-28-32(17)19;1-14-8-15(2)29-25(34)20(14)11-27-23-21-12-28-32(17-6-7-17)24(21)31-22(30-23)16-4-3-5-19(9-16)35-13-18(33)10-26;1-25(2,3)31-24-21(15-27-31)23(30(5)18-9-11-33-12-10-18)28-22(29-24)17-7-6-8-20(13-17)34-16-19(32)14-26-4;1-15-9-18(31(3)30-15)11-26-23-21-13-27-32(17-7-8-17)24(21)29-22(28-23)16-5-4-6-20(10-16)34-14-19(33)12-25-2;1-24(2,3)32-23-20(14-27-32)22(26-12-17-9-10-31(5)30-17)28-21(29-23)16-7-6-8-19(11-16)34-15-18(33)13-25-4/h1-6,9-11,14,18,20,34H,7-8,12-13,15,26H2,(H,27,30,31);3-5,8-9,12,17-18,33H,6-7,10-11,13,26H2,1-2H3,(H,29,34)(H,27,30,31);6-8,13,15,18-19,26,32H,9-12,14,16H2,1-5H3;4-6,9-10,13,17,19,25,33H,7-8,11-12,14H2,1-3H3,(H,26,28,29);6-11,14,18,25,33H,12-13,15H2,1-5H3,(H,26,28,29)
InChIKeyFZZMVXKEQWDJRT-UHFFFAOYSA-N
XLogP13.05
TPSA599.82 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.82
LogP ≤ 513.05
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol 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
CID 158327242
CID 158327242
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
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159905012
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-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;(1S,5R)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160302057
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
3-[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]-N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;2-methyl-2-[4-[6-(methylamino)-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-1-ol;1-methyl-4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
CID 163413119
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
(E)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-[2-[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]ethoxy]ethoxy]but-2-en-1-one
CID 168195490
(E)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-[2-[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]ethoxy]ethyl-methylamino]but-2-en-1-one
CID 168195635
(E)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]but-2-en-1-one
CID 168195696

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 158192993) is 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C(C)(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3cc(C)nn3C)c3cnn(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2nc(NCc3ccn(C)n3)c3cnn(C(C)(C)C)c3n2)c1.Cc1cc(C)c(CNc2nc(-c3cccc(OCC(O)CN)c3)nc3c2cnn3C2CC2)c(=O)[nH]1.NCC(O)COc1cccc(-c2nc(NCc3cccc4ccnn34)c3cnn(C4CC4)c3n2)c1.
What is the InChIKey of 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is FZZMVXKEQWDJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.C25H29N7O3.C25H36N6O3.C24H30N8O2.C24H32N8O2/c26-12-20(34)15-35-21-6-1-3-16(11-21)23-30-24(22-14-29-33(18-7-8-18)25(22)31-23)27-13-19-5-2-4-17-9-10-28-32(17)19;1-14-8-15(2)29-25(34)20(14)11-27-23-21-12-28-32(17-6-7-17)24(21)31-22(30-23)16-4-3-5-19(9-16)35-13-18(33)10-26;1-25(2,3)31-24-21(15-27-31)23(30(5)18-9-11-33-12-10-18)28-22(29-24)17-7-6-8-20(13-17)34-16-19(32)14-26-4;1-15-9-18(31(3)30-15)11-26-23-21-13-27-32(17-7-8-17)24(21)29-22(28-23)16-5-4-6-20(10-16)34-14-19(33)12-25-2;1-24(2,3)32-23-20(14-27-32)22(26-12-17-9-10-31(5)30-17)28-21(29-23)16-7-6-8-19(11-16)34-15-18(33)13-25-4/h1-6,9-11,14,18,20,34H,7-8,12-13,15,26H2,(H,27,30,31);3-5,8-9,12,17-18,33H,6-7,10-11,13,26H2,1-2H3,(H,29,34)(H,27,30,31);6-8,13,15,18-19,26,32H,9-12,14,16H2,1-5H3;4-6,9-10,13,17,19,25,33H,7-8,11-12,14H2,1-3H3,(H,26,28,29);6-11,14,18,25,33H,12-13,15H2,1-5H3,(H,26,28,29).
What are the key properties of 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 2341.82 g/mol, XLogP of 13.05, 45 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 158192993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).