2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide

C256H338F6N46O28 — CID 159836518

IUPAC2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(C)CCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(CCNCC(F)(F)F)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(CC2CCOCC2)c1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(N(C)C2CCOCC2)c1.COCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(C[C@H]2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2CCC2)nc(N2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C26H35N5O3.C25H31F3N4O2.C25H34N4O3.C25H33N3O3.C23H30F3N5O2.C23H33N5O2.C22H31N5O2.C22H28N4O3.C22H28N4O2.C22H27N3O3.C21H28N4O3/c32-23(18-30-9-8-19-4-1-2-5-20(19)17-30)16-27-26(33)21-14-24(28-22-6-3-7-22)29-25(15-21)31-10-12-34-13-11-31;1-17-10-29-21(8-18-12-32(13-18)16-25(26,27)28)9-23(17)24(34)30-11-22(33)15-31-7-6-19-4-2-3-5-20(19)14-31;1-27(17-23(30)18-29-12-8-19-5-3-4-6-21(19)16-29)25(31)20-7-11-26-24(15-20)28(2)22-9-13-32-14-10-22;1-27(17-24(29)18-28-11-7-20-4-2-3-5-22(20)16-28)25(30)21-6-10-26-23(15-21)14-19-8-12-31-13-9-19;1-30(11-9-27-16-23(24,25)26)21-12-18(6-8-28-21)22(33)29-13-20(32)15-31-10-7-17-4-2-3-5-19(17)14-31;1-27(2)11-6-5-9-20-13-22(26-17-25-20)23(30)24-14-21(29)16-28-12-10-18-7-3-4-8-19(18)15-28;1-26(2)10-5-8-19-12-21(25-16-24-19)22(29)23-13-20(28)15-27-11-9-17-6-3-4-7-18(17)14-27;27-20(13-26-7-5-17-3-1-2-4-18(17)12-26)11-23-22(28)21-10-19(24-15-25-21)9-16-6-8-29-14-16;27-20(14-26-9-8-17-6-1-2-7-18(17)13-26)12-23-22(28)21-11-19(24-15-25-21)10-16-4-3-5-16;26-19(15-25-11-9-16-4-1-2-5-18(16)14-25)13-24-22(27)17-8-10-23-21(12-17)28-20-6-3-7-20;1-28-10-4-7-18-11-20(24-15-23-18)21(27)22-12-19(26)14-25-9-8-16-5-2-3-6-17(16)13-25/h1-2,4-5,14-15,22-23,32H,3,6-13,16-18H2,(H,27,33)(H,28,29);2-5,9-10,18,22,33H,6-8,11-16H2,1H3,(H,30,34);3-7,11,15,22-23,30H,8-10,12-14,16-18H2,1-2H3;2-6,10,15,19,24,29H,7-9,11-14,16-18H2,1H3;2-6,8,12,20,27,32H,7,9-11,13-16H2,1H3,(H,29,33);3-4,7-8,13,17,21,29H,5-6,9-12,14-16H2,1-2H3,(H,24,30);3-4,6-7,12,16,20,28H,5,8-11,13-15H2,1-2H3,(H,23,29);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-2,6-7,11,15-16,20,27H,3-5,8-10,12-14H2,(H,23,28);1-2,4-5,8,10,12,19-20,26H,3,6-7,9,11,13-15H2,(H,24,27);2-3,5-6,11,15,19,26H,4,7-10,12-14H2,1H3,(H,22,27)/t23-;22-;23-;24-;20-;21-;20-;16-,20+;20-;2*19-/m00000001000/s1
InChIKeyNODJHSUACIOIII-YCBDIVFLSA-N
MW4621.80 g/mol
LogP20.32
Rot. Bonds89

About 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide

2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 159836518) has the molecular formula C256H338F6N46O28 and a molecular weight of 4621.80 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID159836518
Molecular FormulaC256H338F6N46O28
Molecular Weight4621.80 g/mol
Exact Mass4618.63
IUPAC Name2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(C)CCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(CCNCC(F)(F)F)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(CC2CCOCC2)c1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(N(C)C2CCOCC2)c1.COCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(C[C@H]2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2CCC2)nc(N2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C26H35N5O3.C25H31F3N4O2.C25H34N4O3.C25H33N3O3.C23H30F3N5O2.C23H33N5O2.C22H31N5O2.C22H28N4O3.C22H28N4O2.C22H27N3O3.C21H28N4O3/c32-23(18-30-9-8-19-4-1-2-5-20(19)17-30)16-27-26(33)21-14-24(28-22-6-3-7-22)29-25(15-21)31-10-12-34-13-11-31;1-17-10-29-21(8-18-12-32(13-18)16-25(26,27)28)9-23(17)24(34)30-11-22(33)15-31-7-6-19-4-2-3-5-20(19)14-31;1-27(17-23(30)18-29-12-8-19-5-3-4-6-21(19)16-29)25(31)20-7-11-26-24(15-20)28(2)22-9-13-32-14-10-22;1-27(17-24(29)18-28-11-7-20-4-2-3-5-22(20)16-28)25(30)21-6-10-26-23(15-21)14-19-8-12-31-13-9-19;1-30(11-9-27-16-23(24,25)26)21-12-18(6-8-28-21)22(33)29-13-20(32)15-31-10-7-17-4-2-3-5-19(17)14-31;1-27(2)11-6-5-9-20-13-22(26-17-25-20)23(30)24-14-21(29)16-28-12-10-18-7-3-4-8-19(18)15-28;1-26(2)10-5-8-19-12-21(25-16-24-19)22(29)23-13-20(28)15-27-11-9-17-6-3-4-7-18(17)14-27;27-20(13-26-7-5-17-3-1-2-4-18(17)12-26)11-23-22(28)21-10-19(24-15-25-21)9-16-6-8-29-14-16;27-20(14-26-9-8-17-6-1-2-7-18(17)13-26)12-23-22(28)21-11-19(24-15-25-21)10-16-4-3-5-16;26-19(15-25-11-9-16-4-1-2-5-18(16)14-25)13-24-22(27)17-8-10-23-21(12-17)28-20-6-3-7-20;1-28-10-4-7-18-11-20(24-15-23-18)21(27)22-12-19(26)14-25-9-8-16-5-2-3-6-17(16)13-25/h1-2,4-5,14-15,22-23,32H,3,6-13,16-18H2,(H,27,33)(H,28,29);2-5,9-10,18,22,33H,6-8,11-16H2,1H3,(H,30,34);3-7,11,15,22-23,30H,8-10,12-14,16-18H2,1-2H3;2-6,10,15,19,24,29H,7-9,11-14,16-18H2,1H3;2-6,8,12,20,27,32H,7,9-11,13-16H2,1H3,(H,29,33);3-4,7-8,13,17,21,29H,5-6,9-12,14-16H2,1-2H3,(H,24,30);3-4,6-7,12,16,20,28H,5,8-11,13-15H2,1-2H3,(H,23,29);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-2,6-7,11,15-16,20,27H,3-5,8-10,12-14H2,(H,23,28);1-2,4-5,8,10,12,19-20,26H,3,6-7,9,11,13-15H2,(H,24,27);2-3,5-6,11,15,19,26H,4,7-10,12-14H2,1H3,(H,22,27)/t23-;22-;23-;24-;20-;21-;20-;16-,20+;20-;2*19-/m00000001000/s1
InChIKeyNODJHSUACIOIII-YCBDIVFLSA-N
XLogP20.32
TPSA865.81 Ų
H-Bond Donors22
H-Bond Acceptors63
Rotatable Bonds89
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004621.80
LogP ≤ 520.32
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1063

Analyze 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide (CID 159836518) is 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide is CN(C)CCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(C)CCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.CN(CCNCC(F)(F)F)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(CC2CCOCC2)c1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(N(C)C2CCOCC2)c1.COCCCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(C[C@H]2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2CCC2)nc(N2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is NODJHSUACIOIII-YCBDIVFLSA-N. The full InChI is InChI=1S/C26H35N5O3.C25H31F3N4O2.C25H34N4O3.C25H33N3O3.C23H30F3N5O2.C23H33N5O2.C22H31N5O2.C22H28N4O3.C22H28N4O2.C22H27N3O3.C21H28N4O3/c32-23(18-30-9-8-19-4-1-2-5-20(19)17-30)16-27-26(33)21-14-24(28-22-6-3-7-22)29-25(15-21)31-10-12-34-13-11-31;1-17-10-29-21(8-18-12-32(13-18)16-25(26,27)28)9-23(17)24(34)30-11-22(33)15-31-7-6-19-4-2-3-5-20(19)14-31;1-27(17-23(30)18-29-12-8-19-5-3-4-6-21(19)16-29)25(31)20-7-11-26-24(15-20)28(2)22-9-13-32-14-10-22;1-27(17-24(29)18-28-11-7-20-4-2-3-5-22(20)16-28)25(30)21-6-10-26-23(15-21)14-19-8-12-31-13-9-19;1-30(11-9-27-16-23(24,25)26)21-12-18(6-8-28-21)22(33)29-13-20(32)15-31-10-7-17-4-2-3-5-19(17)14-31;1-27(2)11-6-5-9-20-13-22(26-17-25-20)23(30)24-14-21(29)16-28-12-10-18-7-3-4-8-19(18)15-28;1-26(2)10-5-8-19-12-21(25-16-24-19)22(29)23-13-20(28)15-27-11-9-17-6-3-4-7-18(17)14-27;27-20(13-26-7-5-17-3-1-2-4-18(17)12-26)11-23-22(28)21-10-19(24-15-25-21)9-16-6-8-29-14-16;27-20(14-26-9-8-17-6-1-2-7-18(17)13-26)12-23-22(28)21-11-19(24-15-25-21)10-16-4-3-5-16;26-19(15-25-11-9-16-4-1-2-5-18(16)14-25)13-24-22(27)17-8-10-23-21(12-17)28-20-6-3-7-20;1-28-10-4-7-18-11-20(24-15-23-18)21(27)22-12-19(26)14-25-9-8-16-5-2-3-6-17(16)13-25/h1-2,4-5,14-15,22-23,32H,3,6-13,16-18H2,(H,27,33)(H,28,29);2-5,9-10,18,22,33H,6-8,11-16H2,1H3,(H,30,34);3-7,11,15,22-23,30H,8-10,12-14,16-18H2,1-2H3;2-6,10,15,19,24,29H,7-9,11-14,16-18H2,1H3;2-6,8,12,20,27,32H,7,9-11,13-16H2,1H3,(H,29,33);3-4,7-8,13,17,21,29H,5-6,9-12,14-16H2,1-2H3,(H,24,30);3-4,6-7,12,16,20,28H,5,8-11,13-15H2,1-2H3,(H,23,29);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-2,6-7,11,15-16,20,27H,3-5,8-10,12-14H2,(H,23,28);1-2,4-5,8,10,12,19-20,26H,3,6-7,9,11,13-15H2,(H,24,27);2-3,5-6,11,15,19,26H,4,7-10,12-14H2,1H3,(H,22,27)/t23-;22-;23-;24-;20-;21-;20-;16-,20+;20-;2*19-/m00000001000/s1.
What are the key properties of 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide?
2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 4621.80 g/mol, XLogP of 20.32, 89 rotatable bonds, 22 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-4-carboxamide;6-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-cyclobutyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[4-(dimethylamino)butyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-methoxypropyl)pyrimidine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-[methyl(oxan-4-yl)amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159836518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).