C119H117N33O15 — CID 158136871
6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 158136871) has the molecular formula C119H117N33O15 and a molecular weight of 2249.46 g/mol. Its IUPAC name is 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
| Compound Name | 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158136871 |
| Molecular Formula | C119H117N33O15 |
| Molecular Weight | 2249.46 g/mol |
| Exact Mass | 2247.94 |
| IUPAC Name | 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
| SMILES | CCNc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)ccn1.COC1CC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=CO.O=CO.O=CO |
| InChI | InChI=1S/2C25H24N6O2.2C22H21N7O2.C22H21N7O.3CH2O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21;1-17-13-18(15-26-14-17)20-6-4-7-22(28-20)25(32)29-23-16-31(19-8-11-33-12-9-19)30-24(23)21-5-2-3-10-27-21;1-31-16-9-15(10-16)29-13-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)14-11-24-25-12-14;30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18;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;3*2-1-3/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32);2-7,10,13-16,19H,8-9,11-12H2,1H3,(H,29,32);2-8,11-13,15-16H,9-10H2,1H3,(H,24,25)(H,27,30);1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30);4-14H,3H2,1-2H3,(H,23,25)(H,27,30);3*1H,(H,2,3) |
| InChIKey | FTLISFGFDBUQHK-UHFFFAOYSA-N |
| XLogP | 18.02 |
| TPSA | 620.38 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2249.46 |
| LogP ≤ 5 | 18.02 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|