1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol

C246H273N69O24 — CID 158215905

IUPAC1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol
SMILESC=CCn1c(=O)c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCCCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n(Cc5cccnc5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(C)nn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C31H33N9O4.C30H32N8O2.C29H30N8O3.C28H32N8O4.C27H31N7O2.C26H30N8O3.C26H29N7O3.C25H29N7O.C24H27N7O2/c1-31(2,43)25-7-4-8-26(35-25)40-27-24(28(41)39(40)20-21-6-5-13-32-18-21)19-33-29(36-27)34-22-9-11-23(12-10-22)37-14-16-38(17-15-37)30(42)44-3;1-30(2,40)25-9-6-10-26(34-25)38-27-24(28(39)37(38)20-21-8-7-15-31-18-21)19-32-29(35-27)33-22-11-13-23(14-12-22)36-16-4-3-5-17-36;1-29(2,39)24-6-3-7-25(33-24)37-26-23(27(38)36(37)19-20-5-4-12-30-17-20)18-31-28(34-26)32-21-8-10-22(11-9-21)35-13-15-40-16-14-35;1-5-13-35-25(37)21-18-29-26(32-24(21)36(35)23-8-6-7-22(31-23)28(2,3)39)30-19-9-11-20(12-10-19)33-14-16-34(17-15-33)27(38)40-4;1-4-15-33-25(35)21-18-28-26(29-19-11-13-20(14-12-19)32-16-6-5-7-17-32)31-24(21)34(33)23-10-8-9-22(30-23)27(2,3)36;1-17-20-16-27-24(30-23(20)34(31-17)22-7-5-6-21(29-22)26(2,3)36)28-18-8-10-19(11-9-18)32-12-14-33(15-13-32)25(35)37-4;1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35;1-17-20-16-26-24(27-18-10-12-19(13-11-18)31-14-5-4-6-15-31)29-23(20)32(30-17)22-9-7-8-21(28-22)25(2,3)33;1-16-19-15-25-23(26-17-7-9-18(10-8-17)30-11-13-33-14-12-30)28-22(19)31(29-16)21-6-4-5-20(27-21)24(2,3)32/h4-13,18-19,43H,14-17,20H2,1-3H3,(H,33,34,36);6-15,18-19,40H,3-5,16-17,20H2,1-2H3,(H,32,33,35);3-12,17-18,39H,13-16,19H2,1-2H3,(H,31,32,34);5-12,18,39H,1,13-17H2,2-4H3,(H,29,30,32);4,8-14,18,36H,1,5-7,15-17H2,2-3H3,(H,28,29,31);5-11,16,36H,12-15H2,1-4H3,(H,27,28,30);4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30);7-13,16,33H,4-6,14-15H2,1-3H3,(H,26,27,29);4-10,15,32H,11-14H2,1-3H3,(H,25,26,28)
InChIKeyGCQHOLFEPQBTBR-UHFFFAOYSA-N
MW4580.35 g/mol
LogP32.19
Rot. Bonds57

About 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol (PubChem CID 158215905) has the molecular formula C246H273N69O24 and a molecular weight of 4580.35 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol
PubChem CID158215905
Molecular FormulaC246H273N69O24
Molecular Weight4580.35 g/mol
Exact Mass4577.23
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol
SMILESC=CCn1c(=O)c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCCCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n(Cc5cccnc5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(C)nn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C31H33N9O4.C30H32N8O2.C29H30N8O3.C28H32N8O4.C27H31N7O2.C26H30N8O3.C26H29N7O3.C25H29N7O.C24H27N7O2/c1-31(2,43)25-7-4-8-26(35-25)40-27-24(28(41)39(40)20-21-6-5-13-32-18-21)19-33-29(36-27)34-22-9-11-23(12-10-22)37-14-16-38(17-15-37)30(42)44-3;1-30(2,40)25-9-6-10-26(34-25)38-27-24(28(39)37(38)20-21-8-7-15-31-18-21)19-32-29(35-27)33-22-11-13-23(14-12-22)36-16-4-3-5-17-36;1-29(2,39)24-6-3-7-25(33-24)37-26-23(27(38)36(37)19-20-5-4-12-30-17-20)18-31-28(34-26)32-21-8-10-22(11-9-21)35-13-15-40-16-14-35;1-5-13-35-25(37)21-18-29-26(32-24(21)36(35)23-8-6-7-22(31-23)28(2,3)39)30-19-9-11-20(12-10-19)33-14-16-34(17-15-33)27(38)40-4;1-4-15-33-25(35)21-18-28-26(29-19-11-13-20(14-12-19)32-16-6-5-7-17-32)31-24(21)34(33)23-10-8-9-22(30-23)27(2,3)36;1-17-20-16-27-24(30-23(20)34(31-17)22-7-5-6-21(29-22)26(2,3)36)28-18-8-10-19(11-9-18)32-12-14-33(15-13-32)25(35)37-4;1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35;1-17-20-16-26-24(27-18-10-12-19(13-11-18)31-14-5-4-6-15-31)29-23(20)32(30-17)22-9-7-8-21(28-22)25(2,3)33;1-16-19-15-25-23(26-17-7-9-18(10-8-17)30-11-13-33-14-12-30)28-22(19)31(29-16)21-6-4-5-20(27-21)24(2,3)32/h4-13,18-19,43H,14-17,20H2,1-3H3,(H,33,34,36);6-15,18-19,40H,3-5,16-17,20H2,1-2H3,(H,32,33,35);3-12,17-18,39H,13-16,19H2,1-2H3,(H,31,32,34);5-12,18,39H,1,13-17H2,2-4H3,(H,29,30,32);4,8-14,18,36H,1,5-7,15-17H2,2-3H3,(H,28,29,31);5-11,16,36H,12-15H2,1-4H3,(H,27,28,30);4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30);7-13,16,33H,4-6,14-15H2,1-3H3,(H,26,27,29);4-10,15,32H,11-14H2,1-3H3,(H,25,26,28)
InChIKeyGCQHOLFEPQBTBR-UHFFFAOYSA-N
XLogP32.19
TPSA1037.55 Ų
H-Bond Donors18
H-Bond Acceptors90
Rotatable Bonds57
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004580.35
LogP ≤ 532.19
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1090

Analyze 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol with MolForge

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What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol (CID 158215905) is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol is C=CCn1c(=O)c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCCCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3c(=O)n2Cc2cccnc2)n1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n(Cc5cccnc5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.COC(=O)N1CCN(c2ccc(Nc3ncc4c(C)nn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12.Cc1nn(-c2cccc(C(C)(C)O)n2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is GCQHOLFEPQBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9O4.C30H32N8O2.C29H30N8O3.C28H32N8O4.C27H31N7O2.C26H30N8O3.C26H29N7O3.C25H29N7O.C24H27N7O2/c1-31(2,43)25-7-4-8-26(35-25)40-27-24(28(41)39(40)20-21-6-5-13-32-18-21)19-33-29(36-27)34-22-9-11-23(12-10-22)37-14-16-38(17-15-37)30(42)44-3;1-30(2,40)25-9-6-10-26(34-25)38-27-24(28(39)37(38)20-21-8-7-15-31-18-21)19-32-29(35-27)33-22-11-13-23(14-12-22)36-16-4-3-5-17-36;1-29(2,39)24-6-3-7-25(33-24)37-26-23(27(38)36(37)19-20-5-4-12-30-17-20)18-31-28(34-26)32-21-8-10-22(11-9-21)35-13-15-40-16-14-35;1-5-13-35-25(37)21-18-29-26(32-24(21)36(35)23-8-6-7-22(31-23)28(2,3)39)30-19-9-11-20(12-10-19)33-14-16-34(17-15-33)27(38)40-4;1-4-15-33-25(35)21-18-28-26(29-19-11-13-20(14-12-19)32-16-6-5-7-17-32)31-24(21)34(33)23-10-8-9-22(30-23)27(2,3)36;1-17-20-16-27-24(30-23(20)34(31-17)22-7-5-6-21(29-22)26(2,3)36)28-18-8-10-19(11-9-18)32-12-14-33(15-13-32)25(35)37-4;1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35;1-17-20-16-26-24(27-18-10-12-19(13-11-18)31-14-5-4-6-15-31)29-23(20)32(30-17)22-9-7-8-21(28-22)25(2,3)33;1-16-19-15-25-23(26-17-7-9-18(10-8-17)30-11-13-33-14-12-30)28-22(19)31(29-16)21-6-4-5-20(27-21)24(2,3)32/h4-13,18-19,43H,14-17,20H2,1-3H3,(H,33,34,36);6-15,18-19,40H,3-5,16-17,20H2,1-2H3,(H,32,33,35);3-12,17-18,39H,13-16,19H2,1-2H3,(H,31,32,34);5-12,18,39H,1,13-17H2,2-4H3,(H,29,30,32);4,8-14,18,36H,1,5-7,15-17H2,2-3H3,(H,28,29,31);5-11,16,36H,12-15H2,1-4H3,(H,27,28,30);4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30);7-13,16,33H,4-6,14-15H2,1-3H3,(H,26,27,29);4-10,15,32H,11-14H2,1-3H3,(H,25,26,28).
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol?
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 4580.35 g/mol, XLogP of 32.19, 57 rotatable bonds, 18 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-morpholin-4-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(4-piperidin-1-ylanilino)-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-one;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate;2-[6-[3-methyl-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol;2-[6-[3-methyl-6-(4-piperidin-1-ylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 158215905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).