C215H220ClF3N58O30S12 — CID 162248938
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;6-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrrole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162248938) has the molecular formula C215H220ClF3N58O30S12 and a molecular weight of 4573.75 g/mol. Its IUPAC name is N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;6-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrrole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;6-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrrole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 162248938 |
| Molecular Formula | C215H220ClF3N58O30S12 |
| Molecular Weight | 4573.75 g/mol |
| Exact Mass | 4569.38 |
| IUPAC Name | N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;6-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrrole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)o1.Cc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)n1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)C1=CN=CC1.O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1ccc(Cl)o1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1ccco1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1nc2ccccn2n1)c1cc(-c2cccs2)[nH]n1.O=C(NCCCNC(=O)c1occc1-c1ccccc1)c1cc(-c2cccs2)[nH]n1 |
| InChI | InChI=1S/C23H21N5O2S.C22H20N4O3S.C18H16F3N5O2S.C18H17N7O2S.2C18H20N4O3S.C17H18N6O2S.C17H22N4O3S.C16H15ClN4O3S.C16H18N6O2S.C16H17N5O2S.C16H16N4O3S/c29-22(19-14-17(9-12-24-19)16-6-2-1-3-7-16)25-10-5-11-26-23(30)20-15-18(27-28-20)21-8-4-13-31-21;27-21(18-14-17(25-26-18)19-8-4-13-30-19)23-10-5-11-24-22(28)20-16(9-12-29-20)15-6-2-1-3-7-15;19-18(20,21)15-6-1-4-11(24-15)16(27)22-7-3-8-23-17(28)13-10-12(25-26-13)14-5-2-9-29-14;26-17(13-11-12(22-23-13)14-5-3-10-28-14)19-7-4-8-20-18(27)16-21-15-6-1-2-9-25(15)24-16;1-11-9-12(2)25-16(11)18(24)20-7-4-6-19-17(23)14-10-13(21-22-14)15-5-3-8-26-15;1-2-12-6-7-15(25-12)18(24)20-9-4-8-19-17(23)14-11-13(21-22-14)16-5-3-10-26-16;1-11-9-18-10-14(21-11)17(25)20-6-3-5-19-16(24)13-8-12(22-23-13)15-4-2-7-26-15;22-16(13-11-12(20-21-13)15-6-3-10-25-15)18-7-4-8-19-17(23)14-5-1-2-9-24-14;17-14-5-4-12(24-14)16(23)19-7-2-6-18-15(22)11-9-10(20-21-11)13-3-1-8-25-13;1-22-9-13(19-10-22)16(24)18-6-3-5-17-15(23)12-8-11(20-21-12)14-4-2-7-25-14;22-15(11-4-7-17-10-11)18-5-2-6-19-16(23)13-9-12(20-21-13)14-3-1-8-24-14;21-15(12-10-11(19-20-12)14-5-2-9-24-14)17-6-3-7-18-16(22)13-4-1-8-23-13/h1-4,6-9,12-15H,5,10-11H2,(H,25,29)(H,26,30)(H,27,28);1-4,6-9,12-14H,5,10-11H2,(H,23,27)(H,24,28)(H,25,26);1-2,4-6,9-10H,3,7-8H2,(H,22,27)(H,23,28)(H,25,26);1-3,5-6,9-11H,4,7-8H2,(H,19,26)(H,20,27)(H,22,23);3,5,8-10H,4,6-7H2,1-2H3,(H,19,23)(H,20,24)(H,21,22);3,5-7,10-11H,2,4,8-9H2,1H3,(H,19,23)(H,20,24)(H,21,22);2,4,7-10H,3,5-6H2,1H3,(H,19,24)(H,20,25)(H,22,23);3,6,10-11,14H,1-2,4-5,7-9H2,(H,18,22)(H,19,23)(H,20,21);1,3-5,8-9H,2,6-7H2,(H,18,22)(H,19,23)(H,20,21);2,4,7-10H,3,5-6H2,1H3,(H,17,23)(H,18,24)(H,20,21);1,3,7-10H,2,4-6H2,(H,18,22)(H,19,23)(H,20,21);1-2,4-5,8-10H,3,6-7H2,(H,17,21)(H,18,22)(H,19,20) |
| InChIKey | ZXSLAPRQEVAFJL-UHFFFAOYSA-N |
| XLogP | 30.37 |
| TPSA | 1229.42 Ų |
| H-Bond Donors | 36 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 87 |
| Heavy Atoms | 319 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4573.75 |
| LogP ≤ 5 | 30.37 |
| H-Bond Donors ≤ 5 | 36 |
| H-Bond Acceptors ≤ 10 | 64 |