About 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide (PubChem CID 159401201) has the molecular formula C138H140N36O16S3
and a molecular weight of 2655.07 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide (CID 159401201) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide is CCc1nc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)cc2)no1.Cc1c(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)nnn1-c1nonc1N.Cc1cc(C2=NC=C(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CCN(C)C5)c3)C2)ccn1.Cc1nc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)cc2)no1.Nc1nonc1-n1nnc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)c1-c1ccccc1.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide?
The InChIKey is LNIYVUFONSRPLW-RDQDRDNZSA-N. The full InChI is InChI=1S/C30H30N10O4S.C29H29N5O3.C28H27N5O3.C26H26N6O2S.C25H28N10O4S/c31-26-27(37-44-36-26)40-25(19-6-2-1-3-7-19)24(35-38-40)29(42)32-17-18-5-4-8-20(15-18)28(41)34-30-33-22-10-9-21(16-23(22)45-30)39-11-13-43-14-12-39;1-3-26-32-27(33-37-26)21-7-9-22(10-8-21)28(35)30-17-19-5-4-6-23(15-19)29(36)31-25-12-11-20-13-14-34(2)18-24(20)16-25;1-18-30-26(32-36-18)21-6-8-22(9-7-21)27(34)29-16-19-4-3-5-23(14-19)28(35)31-25-11-10-20-12-13-33(2)17-24(20)15-25;1-16-10-18(6-8-27-16)21-12-20(14-28-21)24(33)29-13-17-4-3-5-19(11-17)25(34)31-26-30-22-15-32(2)9-7-23(22)35-26;1-14-20(30-33-35(14)22-21(26)31-39-32-22)24(37)27-13-15-3-2-4-16(11-15)23(36)29-25-28-18-6-5-17(12-19(18)40-25)34-7-9-38-10-8-34/h1-8,15,21H,9-14,16-17H2,(H2,31,36)(H,32,42)(H,33,34,41);4-12,15-16H,3,13-14,17-18H2,1-2H3,(H,30,35)(H,31,36);3-11,14-15H,12-13,16-17H2,1-2H3,(H,29,34)(H,31,35);3-6,8,10-11,14H,7,9,12-13,15H2,1-2H3,(H,29,33)(H,30,31,34);2-4,11,17H,5-10,12-13H2,1H3,(H2,26,31)(H,27,37)(H,28,29,36)/t21-;;;;17-/m0...0/s1.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide has a molecular weight of 2655.07 g/mol, XLogP of 16.26, 34 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]triazole-4-carboxamide;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 159401201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).