4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

C300H373N41O32 — CID 159401127

IUPAC4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)(C)c1cc(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)[nH]n1.CN(c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1)C1CCC1.COCCN1CCC(Oc2ccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1.COc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)cc(NC2CCC2)n1.Cn1nccc1Cc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c(O)ccc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1O)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCCC2)c1
InChIInChI=1S/C31H37N3O3.C30H36N4O3.C27H37N3O4.C26H33N5O2.C25H33N3O2.C24H31N3O3.C24H31N3O2.C23H27N5O2.C23H30N4O2.C23H24N2O3.C23H28N2O3.C21H26N4O3/c35-28(23-34-17-14-25-8-4-5-9-27(25)22-34)20-32-31(36)26-10-12-29(13-11-26)37-30-15-18-33(19-16-30)21-24-6-2-1-3-7-24;35-27(22-34-16-11-24-3-1-2-4-26(24)21-34)19-32-30(36)25-5-7-28(8-6-25)37-29-12-17-33(18-13-29)20-23-9-14-31-15-10-23;1-33-17-16-29-14-11-26(12-15-29)34-25-8-6-22(7-9-25)27(32)28-18-24(31)20-30-13-10-21-4-2-3-5-23(21)19-30;1-26(2,3)24-14-22(29-30-24)13-21-12-19(8-10-27-21)25(33)28-15-23(32)17-31-11-9-18-6-4-5-7-20(18)16-31;29-24(18-28-13-11-20-8-4-5-9-22(20)17-28)16-27-25(30)21-10-12-26-23(15-21)14-19-6-2-1-3-7-19;1-30-24-14-19(13-23(26-24)25-20-7-4-8-20)22(29)10-9-21(28)16-27-12-11-17-5-2-3-6-18(17)15-27;28-23(17-27-12-10-19-7-3-4-8-21(19)16-27)15-26-24(29)20-9-11-25-22(14-20)13-18-5-1-2-6-18;1-27-21(7-10-26-27)13-20-12-18(6-9-24-20)23(30)25-14-22(29)16-28-11-8-17-4-2-3-5-19(17)15-28;1-26(20-7-4-8-20)22-13-18(9-11-24-22)23(29)25-14-21(28)16-27-12-10-17-5-2-3-6-19(17)15-27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)22-20-8-4-3-6-17(20)9-10-21(22)27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)21-10-9-17-6-3-4-8-20(17)22(21)27;26-19(11-25-6-5-16-3-1-2-4-17(16)10-25)9-22-21(27)20-8-18(23-14-24-20)7-15-12-28-13-15/h1-13,28,30,35H,14-23H2,(H,32,36);1-10,14-15,27,29,35H,11-13,16-22H2,(H,32,36);2-9,24,26,31H,10-20H2,1H3,(H,28,32);4-8,10,12,14,23,32H,9,11,13,15-17H2,1-3H3,(H,28,33)(H,29,30);4-5,8-10,12,15,19,24,29H,1-3,6-7,11,13-14,16-18H2,(H,27,30);2-3,5-6,13-14,20-21,28H,4,7-12,15-16H2,1H3,(H,25,26);3-4,7-9,11,14,18,23,28H,1-2,5-6,10,12-13,15-17H2,(H,26,29);2-7,9-10,12,22,29H,8,11,13-16H2,1H3,(H,25,30);2-3,5-6,9,11,13,20-21,28H,4,7-8,10,12,14-16H2,1H3,(H,25,29);1-10,19,26-27H,11-15H2,(H,24,28);1-2,5,7,9-10,19,26-27H,3-4,6,8,11-15H2,(H,24,28);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27)/t28-;27-;24-;23-;24-;21-;23-;22-;21-;3*19-/m000000000001/s1
InChIKeyLNISXOVZNWFEKA-WWBXHHOASA-N
MW5065.54 g/mol
LogP31.78
Rot. Bonds89

About 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 159401127) has the molecular formula C300H373N41O32 and a molecular weight of 5065.54 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID159401127
Molecular FormulaC300H373N41O32
Molecular Weight5065.54 g/mol
Exact Mass5061.88
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)(C)c1cc(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)[nH]n1.CN(c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1)C1CCC1.COCCN1CCC(Oc2ccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1.COc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)cc(NC2CCC2)n1.Cn1nccc1Cc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c(O)ccc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1O)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCCC2)c1
InChIInChI=1S/C31H37N3O3.C30H36N4O3.C27H37N3O4.C26H33N5O2.C25H33N3O2.C24H31N3O3.C24H31N3O2.C23H27N5O2.C23H30N4O2.C23H24N2O3.C23H28N2O3.C21H26N4O3/c35-28(23-34-17-14-25-8-4-5-9-27(25)22-34)20-32-31(36)26-10-12-29(13-11-26)37-30-15-18-33(19-16-30)21-24-6-2-1-3-7-24;35-27(22-34-16-11-24-3-1-2-4-26(24)21-34)19-32-30(36)25-5-7-28(8-6-25)37-29-12-17-33(18-13-29)20-23-9-14-31-15-10-23;1-33-17-16-29-14-11-26(12-15-29)34-25-8-6-22(7-9-25)27(32)28-18-24(31)20-30-13-10-21-4-2-3-5-23(21)19-30;1-26(2,3)24-14-22(29-30-24)13-21-12-19(8-10-27-21)25(33)28-15-23(32)17-31-11-9-18-6-4-5-7-20(18)16-31;29-24(18-28-13-11-20-8-4-5-9-22(20)17-28)16-27-25(30)21-10-12-26-23(15-21)14-19-6-2-1-3-7-19;1-30-24-14-19(13-23(26-24)25-20-7-4-8-20)22(29)10-9-21(28)16-27-12-11-17-5-2-3-6-18(17)15-27;28-23(17-27-12-10-19-7-3-4-8-21(19)16-27)15-26-24(29)20-9-11-25-22(14-20)13-18-5-1-2-6-18;1-27-21(7-10-26-27)13-20-12-18(6-9-24-20)23(30)25-14-22(29)16-28-11-8-17-4-2-3-5-19(17)15-28;1-26(20-7-4-8-20)22-13-18(9-11-24-22)23(29)25-14-21(28)16-27-12-10-17-5-2-3-6-19(17)15-27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)22-20-8-4-3-6-17(20)9-10-21(22)27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)21-10-9-17-6-3-4-8-20(17)22(21)27;26-19(11-25-6-5-16-3-1-2-4-17(16)10-25)9-22-21(27)20-8-18(23-14-24-20)7-15-12-28-13-15/h1-13,28,30,35H,14-23H2,(H,32,36);1-10,14-15,27,29,35H,11-13,16-22H2,(H,32,36);2-9,24,26,31H,10-20H2,1H3,(H,28,32);4-8,10,12,14,23,32H,9,11,13,15-17H2,1-3H3,(H,28,33)(H,29,30);4-5,8-10,12,15,19,24,29H,1-3,6-7,11,13-14,16-18H2,(H,27,30);2-3,5-6,13-14,20-21,28H,4,7-12,15-16H2,1H3,(H,25,26);3-4,7-9,11,14,18,23,28H,1-2,5-6,10,12-13,15-17H2,(H,26,29);2-7,9-10,12,22,29H,8,11,13-16H2,1H3,(H,25,30);2-3,5-6,9,11,13,20-21,28H,4,7-8,10,12,14-16H2,1H3,(H,25,29);1-10,19,26-27H,11-15H2,(H,24,28);1-2,5,7,9-10,19,26-27H,3-4,6,8,11-15H2,(H,24,28);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27)/t28-;27-;24-;23-;24-;21-;23-;22-;21-;3*19-/m000000000001/s1
InChIKeyLNISXOVZNWFEKA-WWBXHHOASA-N
XLogP31.78
TPSA902.15 Ų
H-Bond Donors27
H-Bond Acceptors61
Rotatable Bonds89
Heavy Atoms373
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005065.54
LogP ≤ 531.78
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1061

Analyze 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
CID 160549475
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
CID 161124583
1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
CID 161015124
2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 158892245
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide
CID 161045752
2-(cyclobutylamino)-N-[2-hydroxy-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 166672362
2-(cyclobutylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(2-cyclopropylethyl)-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]-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-pyridin-3-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-pyridin-4-ylethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide
CID 160695850
(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[[(2R)-2-methyloxan-4-yl]amino]phenyl]pentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[[(2S)-2-methyloxan-4-yl]amino]phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methylimidazole-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylamino)-1H-pyrazole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(4-oxopentyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3H-pyrrole-2-carboxamide
CID 157050589
N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 159233964
2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 157493662
2-[3-[acetyl(methyl)amino]propyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(2-aminoethylamino)-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;6-bromo-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-2-carboxamide;(4S)-1-[2-(butylamino)-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-hydroxynaphthalene-2-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-(oxan-4-ylamino)pyrazole-5-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-5-(oxan-4-ylamino)pyrazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-(oxan-4-yloxy)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2,2,2-trifluoroethylamino)propyl]pyridine-4-carboxamide
CID 160653964
2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 157320509

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (CID 159401127) is 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is CC(C)(C)c1cc(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)[nH]n1.CN(c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1)C1CCC1.COCCN1CCC(Oc2ccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1.COc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)cc(NC2CCC2)n1.Cn1nccc1Cc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c(O)ccc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1O)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CC2CCCCC2)c1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is LNISXOVZNWFEKA-WWBXHHOASA-N. The full InChI is InChI=1S/C31H37N3O3.C30H36N4O3.C27H37N3O4.C26H33N5O2.C25H33N3O2.C24H31N3O3.C24H31N3O2.C23H27N5O2.C23H30N4O2.C23H24N2O3.C23H28N2O3.C21H26N4O3/c35-28(23-34-17-14-25-8-4-5-9-27(25)22-34)20-32-31(36)26-10-12-29(13-11-26)37-30-15-18-33(19-16-30)21-24-6-2-1-3-7-24;35-27(22-34-16-11-24-3-1-2-4-26(24)21-34)19-32-30(36)25-5-7-28(8-6-25)37-29-12-17-33(18-13-29)20-23-9-14-31-15-10-23;1-33-17-16-29-14-11-26(12-15-29)34-25-8-6-22(7-9-25)27(32)28-18-24(31)20-30-13-10-21-4-2-3-5-23(21)19-30;1-26(2,3)24-14-22(29-30-24)13-21-12-19(8-10-27-21)25(33)28-15-23(32)17-31-11-9-18-6-4-5-7-20(18)16-31;29-24(18-28-13-11-20-8-4-5-9-22(20)17-28)16-27-25(30)21-10-12-26-23(15-21)14-19-6-2-1-3-7-19;1-30-24-14-19(13-23(26-24)25-20-7-4-8-20)22(29)10-9-21(28)16-27-12-11-17-5-2-3-6-18(17)15-27;28-23(17-27-12-10-19-7-3-4-8-21(19)16-27)15-26-24(29)20-9-11-25-22(14-20)13-18-5-1-2-6-18;1-27-21(7-10-26-27)13-20-12-18(6-9-24-20)23(30)25-14-22(29)16-28-11-8-17-4-2-3-5-19(17)15-28;1-26(20-7-4-8-20)22-13-18(9-11-24-22)23(29)25-14-21(28)16-27-12-10-17-5-2-3-6-19(17)15-27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)22-20-8-4-3-6-17(20)9-10-21(22)27;26-19(15-25-12-11-16-5-1-2-7-18(16)14-25)13-24-23(28)21-10-9-17-6-3-4-8-20(17)22(21)27;26-19(11-25-6-5-16-3-1-2-4-17(16)10-25)9-22-21(27)20-8-18(23-14-24-20)7-15-12-28-13-15/h1-13,28,30,35H,14-23H2,(H,32,36);1-10,14-15,27,29,35H,11-13,16-22H2,(H,32,36);2-9,24,26,31H,10-20H2,1H3,(H,28,32);4-8,10,12,14,23,32H,9,11,13,15-17H2,1-3H3,(H,28,33)(H,29,30);4-5,8-10,12,15,19,24,29H,1-3,6-7,11,13-14,16-18H2,(H,27,30);2-3,5-6,13-14,20-21,28H,4,7-12,15-16H2,1H3,(H,25,26);3-4,7-9,11,14,18,23,28H,1-2,5-6,10,12-13,15-17H2,(H,26,29);2-7,9-10,12,22,29H,8,11,13-16H2,1H3,(H,25,30);2-3,5-6,9,11,13,20-21,28H,4,7-8,10,12,14-16H2,1H3,(H,25,29);1-10,19,26-27H,11-15H2,(H,24,28);1-2,5,7,9-10,19,26-27H,3-4,6,8,11-15H2,(H,24,28);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27)/t28-;27-;24-;23-;24-;21-;23-;22-;21-;3*19-/m000000000001/s1.
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 5065.54 g/mol, XLogP of 31.78, 89 rotatable bonds, 27 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-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]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 159401127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).