C130H134F6N34O19 — CID 159023418
6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159023418) has the molecular formula C130H134F6N34O19 and a molecular weight of 2590.71 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
| Compound Name | 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid |
|---|---|
| PubChem CID | 159023418 |
| Molecular Formula | C130H134F6N34O19 |
| Molecular Weight | 2590.71 g/mol |
| Exact Mass | 2589.05 |
| IUPAC Name | 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid |
| SMILES | CCNc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)ccn1.COCCOCCn1cc(NC(=O)c2cccc(Cc3cc(C)ncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(Cc3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1.O=C(O)C(F)(F)F.O=CO.O=CO.O=CO.O=CO |
| InChI | InChI=1S/C31H35F3N8O3.C27H30N6O3.C24H23N7O.C22H21N7O.C20H16N6O.C2HF3O2.4CH2O2/c1-40-10-12-41(13-11-40)29-24(31(32,33)34)19-22(20-36-29)18-23-6-5-8-26(37-23)30(43)38-27-21-42(14-15-45-17-16-44-2)39-28(27)25-7-3-4-9-35-25;1-19-17-29-20(2)15-21(19)16-22-7-6-9-24(30-22)27(34)31-25-18-33(11-12-36-14-13-35-3)32-26(25)23-8-4-5-10-28-23;1-31-15-21(23(30-31)19-5-2-3-11-25-19)29-24(32)20-7-4-6-18(28-20)17-10-12-26-22(13-17)27-14-16-8-9-16;1-3-23-20-13-15(10-12-25-20)16-8-6-9-18(26-16)22(30)27-19-14-29(2)28-21(19)17-7-4-5-11-24-17;1-26-13-18(19(25-26)16-5-2-3-10-22-16)24-20(27)17-7-4-6-15(23-17)14-8-11-21-12-9-14;3-2(4,5)1(6)7;4*2-1-3/h3-9,19-21H,10-18H2,1-2H3,(H,38,43);4-10,15,17-18H,11-14,16H2,1-3H3,(H,31,34);2-7,10-13,15-16H,8-9,14H2,1H3,(H,26,27)(H,29,32);4-14H,3H2,1-2H3,(H,23,25)(H,27,30);2-13H,1H3,(H,24,27);(H,6,7);4*1H,(H,2,3) |
| InChIKey | NQHZLJRRTSWEGR-UHFFFAOYSA-N |
| XLogP | 18.13 |
| TPSA | 681.91 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2590.71 |
| LogP ≤ 5 | 18.13 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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