6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide

C200H270F3N39O25 — CID 158988527

IUPAC6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc(OCCN(C)C)n2)CC1.CCN(C)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CNC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc(OC2CCN(C(C)=O)CC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.[H]/N=c1\nc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc2n1CC(CO)N2
InChIInChI=1S/C30H43N5O4.C27H39N5O2.C26H34N4O5.C25H35N5O2.C25H34N4O3.C24H30F3N5O3.C23H29N5O3.C20H26N6O3/c1-22(36)35-12-8-23(9-13-35)16-27-17-26(18-29(32-27)39-15-14-33(2)3)30(38)31-19-28(37)21-34-11-10-24-6-4-5-7-25(24)20-34;1-3-31(2)24-10-8-20(9-11-24)14-23-15-26(30-19-29-23)27(34)28-16-25(33)18-32-13-12-21-6-4-5-7-22(21)17-32;1-18(31)30-11-8-23(9-12-30)35-25-14-21(13-24(28-25)34-2)26(33)27-15-22(32)17-29-10-7-19-5-3-4-6-20(19)16-29;1-26-21-8-6-18(7-9-21)12-22-13-24(29-17-28-22)25(32)27-14-23(31)16-30-11-10-19-4-2-3-5-20(19)15-30;1-32-23-8-6-18(7-9-23)12-21-13-24(28-17-27-21)25(31)26-14-22(30)16-29-11-10-19-4-2-3-5-20(19)15-29;25-24(26,27)16-31-9-6-21(7-10-31)35-22-11-19(12-29-30-22)23(34)28-13-20(33)15-32-8-5-17-3-1-2-4-18(17)14-32;1-16(29)28-12-17(13-28)8-21-9-20(10-25-26-21)23(31)24-11-22(30)15-27-7-6-18-4-2-3-5-19(18)14-27;21-20-24-17(7-18-23-15(12-27)10-26(18)20)19(29)22-8-16(28)11-25-6-5-13-3-1-2-4-14(13)9-25/h4-7,17-18,23,28,37H,8-16,19-21H2,1-3H3,(H,31,38);4-7,15,19-20,24-25,33H,3,8-14,16-18H2,1-2H3,(H,28,34);3-6,13-14,22-23,32H,7-12,15-17H2,1-2H3,(H,27,33);2-5,13,17-18,21,23,26,31H,6-12,14-16H2,1H3,(H,27,32);2-5,13,17-18,22-23,30H,6-12,14-16H2,1H3,(H,26,31);1-4,11-12,20-21,33H,5-10,13-16H2,(H,28,34);2-5,9-10,17,22,30H,6-8,11-15H2,1H3,(H,24,31);1-4,7,15-16,21,23,27-28H,5-6,8-12H2,(H,22,29)/b;;;;;;;21-20+/t28-;20?,24?,25-;22-;18?,21?,23-;18?,22-,23?;20-;22-;15?,16-/m00000000/s1
InChIKeyIYOMRDQNARTNNN-NWMRJLSLSA-N
MW3677.60 g/mol
LogP12.57
Rot. Bonds65

About 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide

6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide (PubChem CID 158988527) has the molecular formula C200H270F3N39O25 and a molecular weight of 3677.60 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide
PubChem CID158988527
Molecular FormulaC200H270F3N39O25
Molecular Weight3677.60 g/mol
Exact Mass3675.10
IUPAC Name6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc(OCCN(C)C)n2)CC1.CCN(C)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CNC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc(OC2CCN(C(C)=O)CC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.[H]/N=c1\nc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc2n1CC(CO)N2
InChIInChI=1S/C30H43N5O4.C27H39N5O2.C26H34N4O5.C25H35N5O2.C25H34N4O3.C24H30F3N5O3.C23H29N5O3.C20H26N6O3/c1-22(36)35-12-8-23(9-13-35)16-27-17-26(18-29(32-27)39-15-14-33(2)3)30(38)31-19-28(37)21-34-11-10-24-6-4-5-7-25(24)20-34;1-3-31(2)24-10-8-20(9-11-24)14-23-15-26(30-19-29-23)27(34)28-16-25(33)18-32-13-12-21-6-4-5-7-22(21)17-32;1-18(31)30-11-8-23(9-12-30)35-25-14-21(13-24(28-25)34-2)26(33)27-15-22(32)17-29-10-7-19-5-3-4-6-20(19)16-29;1-26-21-8-6-18(7-9-21)12-22-13-24(29-17-28-22)25(32)27-14-23(31)16-30-11-10-19-4-2-3-5-20(19)15-30;1-32-23-8-6-18(7-9-23)12-21-13-24(28-17-27-21)25(31)26-14-22(30)16-29-11-10-19-4-2-3-5-20(19)15-29;25-24(26,27)16-31-9-6-21(7-10-31)35-22-11-19(12-29-30-22)23(34)28-13-20(33)15-32-8-5-17-3-1-2-4-18(17)14-32;1-16(29)28-12-17(13-28)8-21-9-20(10-25-26-21)23(31)24-11-22(30)15-27-7-6-18-4-2-3-5-19(18)14-27;21-20-24-17(7-18-23-15(12-27)10-26(18)20)19(29)22-8-16(28)11-25-6-5-13-3-1-2-4-14(13)9-25/h4-7,17-18,23,28,37H,8-16,19-21H2,1-3H3,(H,31,38);4-7,15,19-20,24-25,33H,3,8-14,16-18H2,1-2H3,(H,28,34);3-6,13-14,22-23,32H,7-12,15-17H2,1-2H3,(H,27,33);2-5,13,17-18,21,23,26,31H,6-12,14-16H2,1H3,(H,27,32);2-5,13,17-18,22-23,30H,6-12,14-16H2,1H3,(H,26,31);1-4,11-12,20-21,33H,5-10,13-16H2,(H,28,34);2-5,9-10,17,22,30H,6-8,11-15H2,1H3,(H,24,31);1-4,7,15-16,21,23,27-28H,5-6,8-12H2,(H,22,29)/b;;;;;;;21-20+/t28-;20?,24?,25-;22-;18?,21?,23-;18?,22-,23?;20-;22-;15?,16-/m00000000/s1
InChIKeyIYOMRDQNARTNNN-NWMRJLSLSA-N
XLogP12.57
TPSA778.00 Ų
H-Bond Donors20
H-Bond Acceptors53
Rotatable Bonds65
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.60
LogP ≤ 512.57
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1053

Analyze 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((4S)-1-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one);6-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxolan-3-ylmethyl)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-4-carboxamide
CID 157124343
CID 157232373
CID 157232373
(4S)-1-[2-[(1-acetylazetidin-3-yl)amino]-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylazetidin-3-yl)amino]pyrimidin-4-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;6-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylazetidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrimidine-4-carboxamide
CID 157289741
6-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2-dimethylpropanoyl)azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(methylamino)ethoxy]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(2,2,2-trifluoroethylamino)ethoxy]pyridine-4-carboxamide
CID 157378759
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;6-(1-acetylazetidin-3-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-ethylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 157594621
5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
CID 157598358
CID 157985130
CID 157985130
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;6-tert-butyl-N-(4-methoxycyclohexyl)-N-methylpyrimidin-4-amine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;5-tert-butyl-3-piperidin-4-yloxypyridazine;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-piperidin-1-ylmethanone;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 157992030
CID 158198248
CID 158198248
CID 158234331
CID 158234331
CID 158305557
CID 158305557
CID 158453014
CID 158453014

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide?
The IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide (CID 158988527) is 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide is CC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc(OCCN(C)C)n2)CC1.CCN(C)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CNC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.COc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc(OC2CCN(C(C)=O)CC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.[H]/N=c1\nc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc2n1CC(CO)N2.
What is the InChIKey of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide?
The InChIKey is IYOMRDQNARTNNN-NWMRJLSLSA-N. The full InChI is InChI=1S/C30H43N5O4.C27H39N5O2.C26H34N4O5.C25H35N5O2.C25H34N4O3.C24H30F3N5O3.C23H29N5O3.C20H26N6O3/c1-22(36)35-12-8-23(9-13-35)16-27-17-26(18-29(32-27)39-15-14-33(2)3)30(38)31-19-28(37)21-34-11-10-24-6-4-5-7-25(24)20-34;1-3-31(2)24-10-8-20(9-11-24)14-23-15-26(30-19-29-23)27(34)28-16-25(33)18-32-13-12-21-6-4-5-7-22(21)17-32;1-18(31)30-11-8-23(9-12-30)35-25-14-21(13-24(28-25)34-2)26(33)27-15-22(32)17-29-10-7-19-5-3-4-6-20(19)16-29;1-26-21-8-6-18(7-9-21)12-22-13-24(29-17-28-22)25(32)27-14-23(31)16-30-11-10-19-4-2-3-5-20(19)15-30;1-32-23-8-6-18(7-9-23)12-21-13-24(28-17-27-21)25(31)26-14-22(30)16-29-11-10-19-4-2-3-5-20(19)15-29;25-24(26,27)16-31-9-6-21(7-10-31)35-22-11-19(12-29-30-22)23(34)28-13-20(33)15-32-8-5-17-3-1-2-4-18(17)14-32;1-16(29)28-12-17(13-28)8-21-9-20(10-25-26-21)23(31)24-11-22(30)15-27-7-6-18-4-2-3-5-19(18)14-27;21-20-24-17(7-18-23-15(12-27)10-26(18)20)19(29)22-8-16(28)11-25-6-5-13-3-1-2-4-14(13)9-25/h4-7,17-18,23,28,37H,8-16,19-21H2,1-3H3,(H,31,38);4-7,15,19-20,24-25,33H,3,8-14,16-18H2,1-2H3,(H,28,34);3-6,13-14,22-23,32H,7-12,15-17H2,1-2H3,(H,27,33);2-5,13,17-18,21,23,26,31H,6-12,14-16H2,1H3,(H,27,32);2-5,13,17-18,22-23,30H,6-12,14-16H2,1H3,(H,26,31);1-4,11-12,20-21,33H,5-10,13-16H2,(H,28,34);2-5,9-10,17,22,30H,6-8,11-15H2,1H3,(H,24,31);1-4,7,15-16,21,23,27-28H,5-6,8-12H2,(H,22,29)/b;;;;;;;21-20+/t28-;20?,24?,25-;22-;18?,21?,23-;18?,22-,23?;20-;22-;15?,16-/m00000000/s1.
What are the key properties of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide?
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide has a molecular weight of 3677.60 g/mol, XLogP of 12.57, 65 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxamide;2-(1-acetylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-[ethyl(methyl)amino]cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-5-imino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine-4-carboxamide is sourced from PubChem (CID 158988527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).