1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

C150H205N31O18 — CID 158774666

IUPAC1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C#N)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C4CC4)nn(C(C)C)c3n2)c1.Cc1nn(C(C)C)c2nc(-c3cccc(OCC(O)CN)c3)cc(N3CCOCC3)c12
InChIInChI=1S/C27H37N5O3.C26H37N5O3.C25H32N6O3.C25H35N5O3.C24H33N5O3.C23H31N5O3/c1-17(2)32-27-25(26(31-32)18-7-8-18)24(29-20-9-11-34-12-10-20)14-23(30-27)19-5-4-6-22(13-19)35-16-21(33)15-28-3;1-17(2)31-26-25(18(3)29-31)24(30(5)20-9-11-33-12-10-20)14-23(28-26)19-7-6-8-22(13-19)34-16-21(32)15-27-4;1-16(2)31-25-24(23(13-26)30-31)22(28-18-7-9-33-10-8-18)12-21(29-25)17-5-4-6-20(11-17)34-15-19(32)14-27-3;1-16(2)30-25-24(17(3)29-30)23(27-19-8-10-32-11-9-19)13-22(28-25)18-6-5-7-21(12-18)33-15-20(31)14-26-4;1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4;1-15(2)28-23-22(16(3)26-28)21(27-7-9-30-10-8-27)12-20(25-23)17-5-4-6-19(11-17)31-14-18(29)13-24/h4-6,13-14,17-18,20-21,28,33H,7-12,15-16H2,1-3H3,(H,29,30);6-8,13-14,17,20-21,27,32H,9-12,15-16H2,1-5H3;4-6,11-12,16,18-19,27,32H,7-10,14-15H2,1-3H3,(H,28,29);5-7,12-13,16,19-20,26,31H,8-11,14-15H2,1-4H3,(H,27,28);5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3;4-6,11-12,15,18,29H,7-10,13-14,24H2,1-3H3
InChIKeyIQIBAJWFKQCSPS-UHFFFAOYSA-N
MW2730.49 g/mol
LogP19.61
Rot. Bonds52

About 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (PubChem CID 158774666) has the molecular formula C150H205N31O18 and a molecular weight of 2730.49 g/mol. Its IUPAC name is 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
PubChem CID158774666
Molecular FormulaC150H205N31O18
Molecular Weight2730.49 g/mol
Exact Mass2728.61
IUPAC Name1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C#N)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C4CC4)nn(C(C)C)c3n2)c1.Cc1nn(C(C)C)c2nc(-c3cccc(OCC(O)CN)c3)cc(N3CCOCC3)c12
InChIInChI=1S/C27H37N5O3.C26H37N5O3.C25H32N6O3.C25H35N5O3.C24H33N5O3.C23H31N5O3/c1-17(2)32-27-25(26(31-32)18-7-8-18)24(29-20-9-11-34-12-10-20)14-23(30-27)19-5-4-6-22(13-19)35-16-21(33)15-28-3;1-17(2)31-26-25(18(3)29-31)24(30(5)20-9-11-33-12-10-20)14-23(28-26)19-7-6-8-22(13-19)34-16-21(32)15-27-4;1-16(2)31-25-24(23(13-26)30-31)22(28-18-7-9-33-10-8-18)12-21(29-25)17-5-4-6-20(11-17)34-15-19(32)14-27-3;1-16(2)30-25-24(17(3)29-30)23(27-19-8-10-32-11-9-19)13-22(28-25)18-6-5-7-21(12-18)33-15-20(31)14-26-4;1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4;1-15(2)28-23-22(16(3)26-28)21(27-7-9-30-10-8-27)12-20(25-23)17-5-4-6-19(11-17)31-14-18(29)13-24/h4-6,13-14,17-18,20-21,28,33H,7-12,15-16H2,1-3H3,(H,29,30);6-8,13-14,17,20-21,27,32H,9-12,15-16H2,1-5H3;4-6,11-12,16,18-19,27,32H,7-10,14-15H2,1-3H3,(H,28,29);5-7,12-13,16,19-20,26,31H,8-11,14-15H2,1-4H3,(H,27,28);5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3;4-6,11-12,15,18,29H,7-10,13-14,24H2,1-3H3
InChIKeyIQIBAJWFKQCSPS-UHFFFAOYSA-N
XLogP19.61
TPSA572.17 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds52
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.49
LogP ≤ 519.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Analyze 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol with MolForge

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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
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
2-[4-[1-[4-[(2,5-dimethyl-3-pyridinyl)oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]methyl]propane-1,3-diol;(2S)-3-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-methyl-2-[4-[6-(methylamino)-1-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile
CID 164118190
1-(3-(3-cyclopropyl-1-iso-propyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl)phenoxy)-3-(methylamino)propan-2-ol
CID 85471771
1-(Methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
CID 85471772
6-[3-[2-Hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile
CID 85471899
1-[4-[4-[[3-Cyclopropyl-6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]oxan-2-yl]-3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol
CID 123237082
1-[6-[3-(3-Amino-2-hydroxypropoxy)phenyl]-1-[1-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]cyclopropyl]ethyl]pyrazolo[5,4-b]pyridin-4-yl]-3-methylurea
CID 123297394
1-[3-[7-[[5-[2-[5-[3-[2-Hydroxy-3-(methylamino)propoxy]phenyl]-7-[2-methoxyethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propyl]oxolan-3-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123343535
1-amino-3-[3-[4-[[1-[1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(2H-tetrazol-5-ylmethylamino)pyrazolo[5,4-b]pyridin-1-yl]ethyl]pyridin-1-ium-4-yl]methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 123396420
1-[3-[3-[1-[4-[[5-[3-[2-Hydroxy-3-(methylamino)propoxy]phenyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]oxolan-2-yl]propan-2-yl]-7-[methyl(oxolan-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123756655

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (CID 158774666) is 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is CNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C#N)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)c3c(C4CC4)nn(C(C)C)c3n2)c1.Cc1nn(C(C)C)c2nc(-c3cccc(OCC(O)CN)c3)cc(N3CCOCC3)c12.
What is the InChIKey of 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The InChIKey is IQIBAJWFKQCSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3.C26H37N5O3.C25H32N6O3.C25H35N5O3.C24H33N5O3.C23H31N5O3/c1-17(2)32-27-25(26(31-32)18-7-8-18)24(29-20-9-11-34-12-10-20)14-23(30-27)19-5-4-6-22(13-19)35-16-21(33)15-28-3;1-17(2)31-26-25(18(3)29-31)24(30(5)20-9-11-33-12-10-20)14-23(28-26)19-7-6-8-22(13-19)34-16-21(32)15-27-4;1-16(2)31-25-24(23(13-26)30-31)22(28-18-7-9-33-10-8-18)12-21(29-25)17-5-4-6-20(11-17)34-15-19(32)14-27-3;1-16(2)30-25-24(17(3)29-30)23(27-19-8-10-32-11-9-19)13-22(28-25)18-6-5-7-21(12-18)33-15-20(31)14-26-4;1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4;1-15(2)28-23-22(16(3)26-28)21(27-7-9-30-10-8-27)12-20(25-23)17-5-4-6-19(11-17)31-14-18(29)13-24/h4-6,13-14,17-18,20-21,28,33H,7-12,15-16H2,1-3H3,(H,29,30);6-8,13-14,17,20-21,27,32H,9-12,15-16H2,1-5H3;4-6,11-12,16,18-19,27,32H,7-10,14-15H2,1-3H3,(H,28,29);5-7,12-13,16,19-20,26,31H,8-11,14-15H2,1-4H3,(H,27,28);5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3;4-6,11-12,15,18,29H,7-10,13-14,24H2,1-3H3.
What are the key properties of 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol has a molecular weight of 2730.49 g/mol, XLogP of 19.61, 52 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[3-[3-cyclopropyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 158774666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).