C353H348N54O19 — CID 158446855
1,4-dimethyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrimidine-5-carboxamide;3-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;3-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;3-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide;3-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]-2H-pyrrole-5-carboxamide;7-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-4H-1,4-benzoxazin-3-one;5-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-1,3-dihydroindol-2-one;6-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-3H-quinazolin-4-one (PubChem CID 158446855) has the molecular formula C353H348N54O19 and a molecular weight of 5651.03 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrimidine-5-carboxamide;3-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;3-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;3-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide;3-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]-2H-pyrrole-5-carboxamide;7-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-4H-1,4-benzoxazin-3-one;5-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-1,3-dihydroindol-2-one;6-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-3H-quinazolin-4-one.
| Compound Name | 1,4-dimethyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrimidine-5-carboxamide;3-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;3-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;3-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide;3-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]-2H-pyrrole-5-carboxamide;7-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-4H-1,4-benzoxazin-3-one;5-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-1,3-dihydroindol-2-one;6-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-3H-quinazolin-4-one |
|---|---|
| PubChem CID | 158446855 |
| Molecular Formula | C353H348N54O19 |
| Molecular Weight | 5651.03 g/mol |
| Exact Mass | 5646.79 |
| IUPAC Name | 1,4-dimethyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrimidine-5-carboxamide;3-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;3-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;3-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]-2H-pyrrole-5-carboxamide;6-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide;3-methyl-N-[3-(4-quinolin-6-ylphenyl)propyl]-2H-pyrrole-5-carboxamide;7-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-4H-1,4-benzoxazin-3-one;5-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-1,3-dihydroindol-2-one;6-[4-(4-oxo-5-pyridin-3-ylpentyl)phenyl]-3H-quinazolin-4-one |
| SMILES | CC1=CC(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)=NC1.CC1=CC(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)=NC1.CC1=CC(C(=O)NCCCc2ccc(-c3ccc4ncccc4c3)cc2)=NC1.CC1=CC(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)=NC1.Cc1cc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4ncccc4c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)cn1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)cn1.Cn1ncc2cc(-c3ccc(CCCNC(=O)c4cccnc4)cc3)ccc21.O=C(CCCc1ccc(-c2ccc3c(c2)CC(=O)N3)cc1)Cc1cccnc1.O=C(CCCc1ccc(-c2ccc3c(c2)OCC(=O)N3)cc1)Cc1cccnc1.O=C(CCCc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cc1)Cc1cccnc1 |
| InChI | InChI=1S/C25H23N3O.2C24H26N4O.C24H24N4O.C24H21N3O2.C24H23N3O.C24H22N2O3.C24H22N2O2.C23H23N5O.3C23H24N4O.2C23H22N4O.C22H22N4O/c1-18-6-9-23(17-28-18)25(29)27-15-2-4-19-7-10-20(11-8-19)21-12-13-24-22(16-21)5-3-14-26-24;1-17-13-23(27(2)16-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)15-26-28(22)3;1-16-13-23(28(3)15-16)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(17(20)2)14-26-27-22;1-17-5-8-21(15-26-17)24(29)25-13-3-4-18-6-9-19(10-7-18)20-11-12-23-22(14-20)16-27-28(23)2;28-21(13-18-4-2-12-25-15-18)5-1-3-17-6-8-19(9-7-17)20-10-11-23-22(14-20)24(29)27-16-26-23;1-17-14-23(27-16-17)24(28)26-13-2-4-18-6-8-19(9-7-18)20-10-11-22-21(15-20)5-3-12-25-22;27-21(13-18-4-2-12-25-15-18)5-1-3-17-6-8-19(9-7-17)20-10-11-22-23(14-20)29-16-24(28)26-22;27-22(13-18-4-2-12-25-16-18)5-1-3-17-6-8-19(9-7-17)20-10-11-23-21(14-20)15-24(28)26-23;1-16-25-13-21(14-26-16)23(29)24-11-3-4-17-5-7-18(8-6-17)19-9-10-22-20(12-19)15-27-28(22)2;1-16-12-21(25-14-16)23(28)24-11-3-4-17-5-7-18(8-6-17)19-9-10-22-20(13-19)15-26-27(22)2;1-15-12-22(25-13-15)23(28)24-11-3-4-17-5-7-18(8-6-17)19-9-10-21-20(16(19)2)14-26-27-21;1-16-12-21(27(2)15-16)23(28)25-10-3-4-17-5-7-18(8-6-17)20-13-19-9-11-24-22(19)26-14-20;1-27-22-11-10-19(14-21(22)16-26-27)18-8-6-17(7-9-18)4-2-13-25-23(28)20-5-3-12-24-15-20;1-16-4-7-20(14-26-16)23(28)25-11-2-3-17-5-8-18(9-6-17)21-13-19-10-12-24-22(19)27-15-21;1-15-11-20(25-13-15)22(27)24-9-2-3-16-4-6-17(7-5-16)19-12-18-8-10-23-21(18)26-14-19/h3,5-14,16-17H,2,4,15H2,1H3,(H,27,29);6-11,13-16H,4-5,12H2,1-3H3,(H,25,29);6-11,13-15H,4-5,12H2,1-3H3,(H,25,29)(H,26,27);5-12,14-16H,3-4,13H2,1-2H3,(H,25,29);2,4,6-12,14-16H,1,3,5,13H2,(H,26,27,29);3,5-12,14-15H,2,4,13,16H2,1H3,(H,26,28);2,4,6-12,14-15H,1,3,5,13,16H2,(H,26,28);2,4,6-12,14,16H,1,3,5,13,15H2,(H,26,28);5-10,12-15H,3-4,11H2,1-2H3,(H,24,29);5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,24,28);5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,28)(H,26,27);5-9,11-15H,3-4,10H2,1-2H3,(H,24,26)(H,25,28);3,5-12,14-16H,2,4,13H2,1H3,(H,25,28);4-10,12-15H,2-3,11H2,1H3,(H,24,27)(H,25,28);4-8,10-12,14H,2-3,9,13H2,1H3,(H,23,26)(H,24,27) |
| InChIKey | HDMOLUDTGRYVCB-UHFFFAOYSA-N |
| XLogP | 62.73 |
| TPSA | 952.11 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 93 |
| Heavy Atoms | 426 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5651.03 |
| LogP ≤ 5 | 62.73 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 53 |