C217H212N44O9 — CID 157196899
1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 157196899) has the molecular formula C217H212N44O9 and a molecular weight of 3580.38 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
| Compound Name | 1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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| PubChem CID | 157196899 |
| Molecular Formula | C217H212N44O9 |
| Molecular Weight | 3580.38 g/mol |
| Exact Mass | 3577.75 |
| IUPAC Name | 1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide |
| SMILES | Cc1cc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)n(C)c1.Cc1cc2ncc(C(=O)NCCCc3ccc(-c4ccc5[nH]ncc5c4C)cc3)cn2n1.Cc1cc2ncc(C(=O)NCCCc3ccc(-c4ccc5c(cnn5C)c4)cc3)cn2n1.Cc1cc2ncc(C(=O)NCCCc3ccc(-c4cnc5[nH]ccc5c4)cc3)cn2n1.Cc1ccc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)cn1.Cc1cncc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)n1.Cn1ncc2cc(-c3ccc(CCCNC(=O)c4cnc5ccccc5n4)cc3)ccc21 |
| InChI | InChI=1S/C26H23N5O.2C25H24N6O.C24H22N6O.C24H26N4O.C24H24N4O.C23H23N5O.C23H24N4O.C23H22N4O/c1-31-25-13-12-20(15-21(25)16-29-31)19-10-8-18(9-11-19)5-4-14-27-26(32)24-17-28-22-6-2-3-7-23(22)30-24;1-17-12-24-27-14-22(16-31(24)29-17)25(32)26-11-3-4-18-5-7-19(8-6-18)20-9-10-23-21(13-20)15-28-30(23)2;1-16-12-24-27-13-20(15-31(24)30-16)25(32)26-11-3-4-18-5-7-19(8-6-18)21-9-10-23-22(17(21)2)14-28-29-23;1-16-11-22-27-14-21(15-30(22)29-16)24(31)26-9-2-3-17-4-6-18(7-5-17)20-12-19-8-10-25-23(19)28-13-20;1-16-11-22(28(3)15-16)24(29)25-10-4-5-18-6-8-19(9-7-18)20-12-17(2)23-21(13-20)14-26-27-23;1-16-12-21(13-22-15-27-28-23(16)22)19-9-6-18(7-10-19)4-3-11-25-24(29)20-8-5-17(2)26-14-20;1-16-13-24-15-21(27-16)23(29)25-11-3-4-17-5-7-18(8-6-17)19-9-10-22-20(12-19)14-26-28(22)2;1-16-12-22(27(2)15-16)23(28)24-11-3-4-17-5-7-18(8-6-17)19-9-10-21-20(13-19)14-25-26-21;1-16-4-7-20(14-25-16)23(28)24-12-2-3-17-5-8-18(9-6-17)19-10-11-22-21(13-19)15-26-27-22/h2-3,6-13,15-17H,4-5,14H2,1H3,(H,27,32);5-10,12-16H,3-4,11H2,1-2H3,(H,26,32);5-10,12-15H,3-4,11H2,1-2H3,(H,26,32)(H,28,29);4-8,10-15H,2-3,9H2,1H3,(H,25,28)(H,26,31);6-9,11-15H,4-5,10H2,1-3H3,(H,25,29)(H,26,27);5-10,12-15H,3-4,11H2,1-2H3,(H,25,29)(H,27,28);5-10,12-15H,3-4,11H2,1-2H3,(H,25,29);5-10,12-15H,3-4,11H2,1-2H3,(H,24,28)(H,25,26);4-11,13-15H,2-3,12H2,1H3,(H,24,28)(H,26,27) |
| InChIKey | AQIUBKIXUFDYAA-UHFFFAOYSA-N |
| XLogP | 38.08 |
| TPSA | 665.21 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 270 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3580.38 |
| LogP ≤ 5 | 38.08 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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