About (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
(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 (PubChem CID 157050589) has the molecular formula C157H206N24O19
and a molecular weight of 2733.52 g/mol. Its IUPAC name is (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.
Frequently Asked Questions
What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)CCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.C[C@@H]1CC(Nc2cccc(C(=O)CC[C@H](O)CN3CCc4ccccc4C3)c2)CCO1.C[C@H]1CC(Nc2cccc(C(=O)CC[C@H](O)CN3CCc4ccccc4C3)c2)CCO1.Cn1ccnc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)C1=NC=CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(NC2CCOCC2)n[nH]1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)ncn1.
What is the InChIKey of (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?
The InChIKey is AADRUEOLCZUQCA-WBNUWCTASA-N. The full InChI is InChI=1S/C29H40N4O3.2C26H34N2O3.C21H29N5O3.C21H26N4O3.C17H22N4O2.C17H21N3O2/c1-23(34)6-5-12-31-14-16-32(17-15-31)20-24-7-4-10-26(18-24)29(36)30-19-28(35)22-33-13-11-25-8-2-3-9-27(25)21-33;2*1-19-15-24(12-14-31-19)27-23-8-4-7-21(16-23)26(30)10-9-25(29)18-28-13-11-20-5-2-3-6-22(20)17-28;27-18(14-26-8-5-15-3-1-2-4-16(15)13-26)12-22-21(28)19-11-20(25-24-19)23-17-6-9-29-10-7-17;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;1-20-9-7-18-16(20)17(23)19-10-15(22)12-21-8-6-13-4-2-3-5-14(13)11-21;21-15(10-19-17(22)16-6-3-8-18-16)12-20-9-7-13-4-1-2-5-14(13)11-20/h2-4,7-10,18,28,35H,5-6,11-17,19-22H2,1H3,(H,30,36);2*2-8,16,19,24-25,27,29H,9-15,17-18H2,1H3;1-4,11,17-18,27H,5-10,12-14H2,(H,22,28)(H2,23,24,25);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27);2-5,7,9,15,22H,6,8,10-12H2,1H3,(H,19,23);1-5,8,15,21H,6-7,9-12H2,(H,19,22)/t;19-,24?,25+;19-,24?,25-;;19-;;/m.10.0../s1.
What are the key properties of (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?
(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 has a molecular weight of 2733.52 g/mol, XLogP of 13.83, 51 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157050589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).