2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide

C240H319N37O24 — CID 157184695

IUPAC2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(CC2CCOCC2)ncn1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.CNCCN(C)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.Cc1c(NC2CCOCC2)ncnc1C(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCN2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCNCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CNCCO2)c1
InChIInChI=1S/2C26H35N3O2.2C25H34N4O2.3C24H32N4O3.C23H31N3O3.C22H31N5O2.C21H23N3O2/c1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;30-25(19-29-15-13-21-8-4-5-9-23(21)18-29)17-28-26(31)22-12-14-27-24(16-22)11-10-20-6-2-1-3-7-20;30-24(18-29-14-11-19-5-1-2-6-21(19)17-29)16-28-25(31)20-10-13-27-23(15-20)9-8-22-7-3-4-12-26-22;30-24(18-29-14-10-20-3-1-2-4-22(20)17-29)16-28-25(31)21-9-13-27-23(15-21)6-5-19-7-11-26-12-8-19;1-27(15-22(29)16-28-9-6-19-4-2-3-5-20(19)14-28)24(30)23-13-21(25-17-26-23)12-18-7-10-31-11-8-18;1-17-23(25-16-26-24(17)27-20-9-12-31-13-10-20)22(30)7-6-21(29)15-28-11-8-18-4-2-3-5-19(18)14-28;29-22(17-28-11-8-18-3-1-2-4-20(18)16-28)14-27-24(30)19-7-9-26-21(13-19)5-6-23-15-25-10-12-31-23;1-25(2)13-14-29-23-15-19(9-11-24-23)22(28)8-7-21(27)17-26-12-10-18-5-3-4-6-20(18)16-26;1-23-10-12-26(2)21-13-18(7-9-24-21)22(29)25-14-20(28)16-27-11-8-17-5-3-4-6-19(17)15-27;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20/h2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);4-5,8-9,12,14,16,20,25,30H,1-3,6-7,10-11,13,15,17-19H2,(H,28,31);1-2,5-6,10,13,15,22,24,26,30H,3-4,7-9,11-12,14,16-18H2,(H,28,31);1-4,9,13,15,19,24,26,30H,5-8,10-12,14,16-18H2,(H,28,31);2-5,13,17-18,22,29H,6-12,14-16H2,1H3;2-5,16,20-21,29H,6-15H2,1H3,(H,25,26,27);1-4,7,9,13,22-23,25,29H,5-6,8,10-12,14-17H2,(H,27,30);3-6,9,11,15,21,27H,7-8,10,12-14,16-17H2,1-2H3;3-7,9,13,20,23,28H,8,10-12,14-16H2,1-2H3,(H,25,29);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26)/t2*25-;22?,24-;24-;22-;21-;22-,23?;21-;20-;17-/m0000000000/s1
InChIKeyAOZFAFDBYGCZDT-CSRRUDKFSA-N
MW4106.43 g/mol
LogP22.39
Rot. Bonds78

About 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide

2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 157184695) has the molecular formula C240H319N37O24 and a molecular weight of 4106.43 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide
PubChem CID157184695
Molecular FormulaC240H319N37O24
Molecular Weight4106.43 g/mol
Exact Mass4103.49
IUPAC Name2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(CC2CCOCC2)ncn1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.CNCCN(C)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.Cc1c(NC2CCOCC2)ncnc1C(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCN2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCNCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CNCCO2)c1
InChIInChI=1S/2C26H35N3O2.2C25H34N4O2.3C24H32N4O3.C23H31N3O3.C22H31N5O2.C21H23N3O2/c1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;30-25(19-29-15-13-21-8-4-5-9-23(21)18-29)17-28-26(31)22-12-14-27-24(16-22)11-10-20-6-2-1-3-7-20;30-24(18-29-14-11-19-5-1-2-6-21(19)17-29)16-28-25(31)20-10-13-27-23(15-20)9-8-22-7-3-4-12-26-22;30-24(18-29-14-10-20-3-1-2-4-22(20)17-29)16-28-25(31)21-9-13-27-23(15-21)6-5-19-7-11-26-12-8-19;1-27(15-22(29)16-28-9-6-19-4-2-3-5-20(19)14-28)24(30)23-13-21(25-17-26-23)12-18-7-10-31-11-8-18;1-17-23(25-16-26-24(17)27-20-9-12-31-13-10-20)22(30)7-6-21(29)15-28-11-8-18-4-2-3-5-19(18)14-28;29-22(17-28-11-8-18-3-1-2-4-20(18)16-28)14-27-24(30)19-7-9-26-21(13-19)5-6-23-15-25-10-12-31-23;1-25(2)13-14-29-23-15-19(9-11-24-23)22(28)8-7-21(27)17-26-12-10-18-5-3-4-6-20(18)16-26;1-23-10-12-26(2)21-13-18(7-9-24-21)22(29)25-14-20(28)16-27-11-8-17-5-3-4-6-19(17)15-27;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20/h2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);4-5,8-9,12,14,16,20,25,30H,1-3,6-7,10-11,13,15,17-19H2,(H,28,31);1-2,5-6,10,13,15,22,24,26,30H,3-4,7-9,11-12,14,16-18H2,(H,28,31);1-4,9,13,15,19,24,26,30H,5-8,10-12,14,16-18H2,(H,28,31);2-5,13,17-18,22,29H,6-12,14-16H2,1H3;2-5,16,20-21,29H,6-15H2,1H3,(H,25,26,27);1-4,7,9,13,22-23,25,29H,5-6,8,10-12,14-17H2,(H,27,30);3-6,9,11,15,21,27H,7-8,10,12-14,16-17H2,1-2H3;3-7,9,13,20,23,28H,8,10-12,14-16H2,1-2H3,(H,25,29);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26)/t2*25-;22?,24-;24-;22-;21-;22-,23?;21-;20-;17-/m0000000000/s1
InChIKeyAOZFAFDBYGCZDT-CSRRUDKFSA-N
XLogP22.39
TPSA744.33 Ų
H-Bond Donors23
H-Bond Acceptors52
Rotatable Bonds78
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004106.43
LogP ≤ 522.39
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1052

Analyze 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide (CID 157184695) is 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide is CN(C)CCOc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(CC2CCOCC2)ncn1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.CNCCN(C)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.Cc1c(NC2CCOCC2)ncnc1C(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCCCN2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CCNCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(CCC2CNCCO2)c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is AOZFAFDBYGCZDT-CSRRUDKFSA-N. The full InChI is InChI=1S/2C26H35N3O2.2C25H34N4O2.3C24H32N4O3.C23H31N3O3.C22H31N5O2.C21H23N3O2/c1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;30-25(19-29-15-13-21-8-4-5-9-23(21)18-29)17-28-26(31)22-12-14-27-24(16-22)11-10-20-6-2-1-3-7-20;30-24(18-29-14-11-19-5-1-2-6-21(19)17-29)16-28-25(31)20-10-13-27-23(15-20)9-8-22-7-3-4-12-26-22;30-24(18-29-14-10-20-3-1-2-4-22(20)17-29)16-28-25(31)21-9-13-27-23(15-21)6-5-19-7-11-26-12-8-19;1-27(15-22(29)16-28-9-6-19-4-2-3-5-20(19)14-28)24(30)23-13-21(25-17-26-23)12-18-7-10-31-11-8-18;1-17-23(25-16-26-24(17)27-20-9-12-31-13-10-20)22(30)7-6-21(29)15-28-11-8-18-4-2-3-5-19(18)14-28;29-22(17-28-11-8-18-3-1-2-4-20(18)16-28)14-27-24(30)19-7-9-26-21(13-19)5-6-23-15-25-10-12-31-23;1-25(2)13-14-29-23-15-19(9-11-24-23)22(28)8-7-21(27)17-26-12-10-18-5-3-4-6-20(18)16-26;1-23-10-12-26(2)21-13-18(7-9-24-21)22(29)25-14-20(28)16-27-11-8-17-5-3-4-6-19(17)15-27;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20/h2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);4-5,8-9,12,14,16,20,25,30H,1-3,6-7,10-11,13,15,17-19H2,(H,28,31);1-2,5-6,10,13,15,22,24,26,30H,3-4,7-9,11-12,14,16-18H2,(H,28,31);1-4,9,13,15,19,24,26,30H,5-8,10-12,14,16-18H2,(H,28,31);2-5,13,17-18,22,29H,6-12,14-16H2,1H3;2-5,16,20-21,29H,6-15H2,1H3,(H,25,26,27);1-4,7,9,13,22-23,25,29H,5-6,8,10-12,14-17H2,(H,27,30);3-6,9,11,15,21,27H,7-8,10,12-14,16-17H2,1-2H3;3-7,9,13,20,23,28H,8,10-12,14-16H2,1-2H3,(H,25,29);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26)/t2*25-;22?,24-;24-;22-;21-;22-,23?;21-;20-;17-/m0000000000/s1.
What are the key properties of 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide?
2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 4106.43 g/mol, XLogP of 22.39, 78 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[5-methyl-6-(oxan-4-ylamino)pyrimidin-4-yl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-2-ylethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157184695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).