About 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide
5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide (PubChem CID 158500300) has the molecular formula C196H201N39O17S3
and a molecular weight of 3471.22 g/mol. Its IUPAC name is 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide.
Frequently Asked Questions
What is the IUPAC name of 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide?
The IUPAC name of 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide (CID 158500300) is 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide is CCn1c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc2cc(C#N)ccc21.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)C4=NN=C(c5cccnc5)C4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(Cn5cnnn5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5c(c4)CCN5S(C)(=O)=O)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(N5CCOCC5)c4)c3)cc2C1.Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N(C)C)CC4)c2)cc1.
What is the InChIKey of 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide?
The InChIKey is HJUPLTSDPRAOPT-NQWOXRQZSA-N. The full InChI is InChI=1S/C30H29N5O2.C29H29N5O2S.C29H32N4O3.C28H30N4O4S.C27H27N7O2.C27H26N6O2.C26H28N8O2S/c1-3-35-27-10-7-20(17-31)13-24(27)16-28(35)30(37)32-18-21-5-4-6-23(14-21)29(36)33-26-9-8-22-11-12-34(2)19-25(22)15-26;1-34(2)24-10-11-25-26(17-24)37-29(32-25)33-28(36)23-5-3-4-19(16-23)18-31-27(35)22-8-6-20(7-9-22)21-12-14-30-15-13-21;1-32-11-10-22-8-9-26(17-25(22)20-32)31-29(35)23-5-2-4-21(16-23)19-30-28(34)24-6-3-7-27(18-24)33-12-14-36-15-13-33;1-31-12-10-20-6-8-25(16-24(20)18-31)30-28(34)22-5-3-4-19(14-22)17-29-27(33)23-7-9-26-21(15-23)11-13-32(26)37(2,35)36;1-33-12-11-21-9-10-25(14-24(21)17-33)30-27(36)23-4-2-3-20(13-23)15-28-26(35)22-7-5-19(6-8-22)16-34-18-29-31-32-34;1-33-11-9-19-7-8-23(13-22(19)17-33)30-26(34)20-5-2-4-18(12-20)15-29-27(35)25-14-24(31-32-25)21-6-3-10-28-16-21;1-16-30-31-32-34(16)20-9-7-18(8-10-20)24(35)27-15-17-5-4-6-19(13-17)25(36)29-26-28-22-12-11-21(33(2)3)14-23(22)37-26/h4-10,13-16H,3,11-12,18-19H2,1-2H3,(H,32,37)(H,33,36);3-9,12-16,24H,10-11,17-18H2,1-2H3,(H,31,35)(H,32,33,36);2-9,16-18H,10-15,19-20H2,1H3,(H,30,34)(H,31,35);3-9,14-16H,10-13,17-18H2,1-2H3,(H,29,33)(H,30,34);2-10,13-14,18H,11-12,15-17H2,1H3,(H,28,35)(H,30,36);2-8,10,12-13,16H,9,11,14-15,17H2,1H3,(H,29,35)(H,30,34);4-10,13,21H,11-12,14-15H2,1-3H3,(H,27,35)(H,28,29,36)/t;24-;;;;;21-/m.0....0/s1.
What are the key properties of 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide?
5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide has a molecular weight of 3471.22 g/mol, XLogP of 25.49, 45 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]indole-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-yl-4H-pyrazole-3-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-morpholin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(tetrazol-1-ylmethyl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 158500300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).