2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

C266H335F6N39O31S2 — CID 161415119

IUPAC2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCC(=O)CCCCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.Cc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCNCC2)c1
InChIInChI=1S/C26H33F3N4O2.C26H33NO4.C25H31F3N4O2.C25H34N4O4S.C25H32N4O3.C25H34N4O2.C24H32N4O4S.C23H30N4O3.C23H25N3O2.C22H28N4O3.C22H23N3O2/c27-26(28,29)18-32-10-6-19(7-11-32)13-23-14-21(5-9-30-23)25(35)31-15-24(34)17-33-12-8-20-3-1-2-4-22(20)16-33;1-20(28)7-4-5-16-31-25-11-6-10-22(17-25)26(30)13-12-24(29)19-27-15-14-21-8-2-3-9-23(21)18-27;26-25(27,28)17-32-9-6-18(14-32)11-22-12-20(5-8-29-22)24(34)30-13-23(33)16-31-10-7-19-3-1-2-4-21(19)15-31;1-34(32,33)29-12-7-19(8-13-29)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-28-11-9-20-4-2-3-5-22(20)17-28;1-18(30)29-11-7-19(15-29)12-23-13-21(6-9-26-23)25(32)27-14-24(31)17-28-10-8-20-4-2-3-5-22(20)16-28;1-28-11-7-19(8-12-28)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-29-13-9-20-4-2-3-5-22(20)17-29;1-33(31,32)28-11-7-18(15-28)12-22-13-20(6-9-25-22)24(30)26-14-23(29)17-27-10-8-19-4-2-3-5-21(19)16-27;28-20(16-27-12-8-17-3-1-2-4-19(17)15-27)14-26-23(29)18-5-11-25-22(13-18)30-21-6-9-24-10-7-21;1-16-6-7-18-12-19(8-9-22(18)25-16)23(28)24-13-21(27)15-26-11-10-17-4-2-3-5-20(17)14-26;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;26-20(15-25-11-9-16-4-1-2-5-19(16)14-25)13-24-22(27)18-7-8-21-17(12-18)6-3-10-23-21/h1-5,9,14,19,24,34H,6-8,10-13,15-18H2,(H,31,35);2-3,6,8-11,17,24,29H,4-5,7,12-16,18-19H2,1H3;1-5,8,12,18,23,33H,6-7,9-11,13-17H2,(H,30,34);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,18,23,29H,7-8,10-12,14-17H2,1H3,(H,26,30);1-5,11,13,20-21,24,28H,6-10,12,14-16H2,(H,26,29);2-9,12,21,27H,10-11,13-15H2,1H3,(H,24,28);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-8,10,12,20,26H,9,11,13-15H2,(H,24,27)/t24-;;18?,23-;24-;19?,24-;24-;18?,23-;20-;21-;16?,20-;20-/m0.000000000/s1
InChIKeyVVZDWAPEVBLEOX-QJARPXRWSA-N
MW4752.97 g/mol
LogP23.81
Rot. Bonds82

About 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 161415119) has the molecular formula C266H335F6N39O31S2 and a molecular weight of 4752.97 g/mol. Its IUPAC name is 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID161415119
Molecular FormulaC266H335F6N39O31S2
Molecular Weight4752.97 g/mol
Exact Mass4749.52
IUPAC Name2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCC(=O)CCCCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.Cc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCNCC2)c1
InChIInChI=1S/C26H33F3N4O2.C26H33NO4.C25H31F3N4O2.C25H34N4O4S.C25H32N4O3.C25H34N4O2.C24H32N4O4S.C23H30N4O3.C23H25N3O2.C22H28N4O3.C22H23N3O2/c27-26(28,29)18-32-10-6-19(7-11-32)13-23-14-21(5-9-30-23)25(35)31-15-24(34)17-33-12-8-20-3-1-2-4-22(20)16-33;1-20(28)7-4-5-16-31-25-11-6-10-22(17-25)26(30)13-12-24(29)19-27-15-14-21-8-2-3-9-23(21)18-27;26-25(27,28)17-32-9-6-18(14-32)11-22-12-20(5-8-29-22)24(34)30-13-23(33)16-31-10-7-19-3-1-2-4-21(19)15-31;1-34(32,33)29-12-7-19(8-13-29)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-28-11-9-20-4-2-3-5-22(20)17-28;1-18(30)29-11-7-19(15-29)12-23-13-21(6-9-26-23)25(32)27-14-24(31)17-28-10-8-20-4-2-3-5-22(20)16-28;1-28-11-7-19(8-12-28)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-29-13-9-20-4-2-3-5-22(20)17-29;1-33(31,32)28-11-7-18(15-28)12-22-13-20(6-9-25-22)24(30)26-14-23(29)17-27-10-8-19-4-2-3-5-21(19)16-27;28-20(16-27-12-8-17-3-1-2-4-19(17)15-27)14-26-23(29)18-5-11-25-22(13-18)30-21-6-9-24-10-7-21;1-16-6-7-18-12-19(8-9-22(18)25-16)23(28)24-13-21(27)15-26-11-10-17-4-2-3-5-20(17)14-26;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;26-20(15-25-11-9-16-4-1-2-5-19(16)14-25)13-24-22(27)18-7-8-21-17(12-18)6-3-10-23-21/h1-5,9,14,19,24,34H,6-8,10-13,15-18H2,(H,31,35);2-3,6,8-11,17,24,29H,4-5,7,12-16,18-19H2,1H3;1-5,8,12,18,23,33H,6-7,9-11,13-17H2,(H,30,34);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,18,23,29H,7-8,10-12,14-17H2,1H3,(H,26,30);1-5,11,13,20-21,24,28H,6-10,12,14-16H2,(H,26,29);2-9,12,21,27H,10-11,13-15H2,1H3,(H,24,28);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-8,10,12,20,26H,9,11,13-15H2,(H,24,27)/t24-;;18?,23-;24-;19?,24-;24-;18?,23-;20-;21-;16?,20-;20-/m0.000000000/s1
InChIKeyVVZDWAPEVBLEOX-QJARPXRWSA-N
XLogP23.81
TPSA869.61 Ų
H-Bond Donors22
H-Bond Acceptors57
Rotatable Bonds82
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004752.97
LogP ≤ 523.81
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1057

Analyze 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (CID 161415119) is 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is CC(=O)CCCCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)CC1.Cc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCOC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(OC2CCNCC2)c1.
What is the InChIKey of 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is VVZDWAPEVBLEOX-QJARPXRWSA-N. The full InChI is InChI=1S/C26H33F3N4O2.C26H33NO4.C25H31F3N4O2.C25H34N4O4S.C25H32N4O3.C25H34N4O2.C24H32N4O4S.C23H30N4O3.C23H25N3O2.C22H28N4O3.C22H23N3O2/c27-26(28,29)18-32-10-6-19(7-11-32)13-23-14-21(5-9-30-23)25(35)31-15-24(34)17-33-12-8-20-3-1-2-4-22(20)16-33;1-20(28)7-4-5-16-31-25-11-6-10-22(17-25)26(30)13-12-24(29)19-27-15-14-21-8-2-3-9-23(21)18-27;26-25(27,28)17-32-9-6-18(14-32)11-22-12-20(5-8-29-22)24(34)30-13-23(33)16-31-10-7-19-3-1-2-4-21(19)15-31;1-34(32,33)29-12-7-19(8-13-29)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-28-11-9-20-4-2-3-5-22(20)17-28;1-18(30)29-11-7-19(15-29)12-23-13-21(6-9-26-23)25(32)27-14-24(31)17-28-10-8-20-4-2-3-5-22(20)16-28;1-28-11-7-19(8-12-28)14-23-15-21(6-10-26-23)25(31)27-16-24(30)18-29-13-9-20-4-2-3-5-22(20)17-29;1-33(31,32)28-11-7-18(15-28)12-22-13-20(6-9-25-22)24(30)26-14-23(29)17-27-10-8-19-4-2-3-5-21(19)16-27;28-20(16-27-12-8-17-3-1-2-4-19(17)15-27)14-26-23(29)18-5-11-25-22(13-18)30-21-6-9-24-10-7-21;1-16-6-7-18-12-19(8-9-22(18)25-16)23(28)24-13-21(27)15-26-11-10-17-4-2-3-5-20(17)14-26;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;26-20(15-25-11-9-16-4-1-2-5-19(16)14-25)13-24-22(27)18-7-8-21-17(12-18)6-3-10-23-21/h1-5,9,14,19,24,34H,6-8,10-13,15-18H2,(H,31,35);2-3,6,8-11,17,24,29H,4-5,7,12-16,18-19H2,1H3;1-5,8,12,18,23,33H,6-7,9-11,13-17H2,(H,30,34);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-6,10,15,19,24,30H,7-9,11-14,16-18H2,1H3,(H,27,31);2-6,9,13,18,23,29H,7-8,10-12,14-17H2,1H3,(H,26,30);1-5,11,13,20-21,24,28H,6-10,12,14-16H2,(H,26,29);2-9,12,21,27H,10-11,13-15H2,1H3,(H,24,28);1-4,10,15-16,20,27H,5-9,11-14H2,(H,23,28);1-8,10,12,20,26H,9,11,13-15H2,(H,24,27)/t24-;;18?,23-;24-;19?,24-;24-;18?,23-;20-;21-;16?,20-;20-/m0.000000000/s1.
What are the key properties of 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 4752.97 g/mol, XLogP of 23.81, 82 rotatable bonds, 22 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperidin-4-yloxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 161415119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).