C88H86N30O6 — CID 160562270
N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 160562270) has the molecular formula C88H86N30O6 and a molecular weight of 1659.86 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
| Compound Name | N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160562270 |
| Molecular Formula | C88H86N30O6 |
| Molecular Weight | 1659.86 g/mol |
| Exact Mass | 1658.73 |
| IUPAC Name | N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
| SMILES | CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3cnccn3)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3cnccn3)n2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3cnccn3)n2)c1.Cn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2cnccn2)n1 |
| InChI | InChI=1S/C27H29N7O2.C24H26N8O2.C20H17N7O.C17H14N8O/c1-3-36-21-9-7-20(8-10-21)34-17-25(26(33-34)24-16-28-11-12-30-24)32-27(35)23-6-4-5-22(31-23)19-13-18(2)14-29-15-19;1-2-34-18-8-6-17(7-9-18)32-15-22(23(31-32)21-14-25-10-11-26-21)30-24(33)20-5-3-4-19(29-20)16-12-27-28-13-16;1-13-8-14(10-22-9-13)15-4-3-5-16(24-15)20(28)25-18-12-27(2)26-19(18)17-11-21-6-7-23-17;1-25-10-15(16(24-25)14-9-18-5-6-19-14)23-17(26)13-4-2-3-12(22-13)11-7-20-21-8-11/h4-6,11-17,20-21H,3,7-10H2,1-2H3,(H,32,35);3-5,10-15,17-18H,2,6-9H2,1H3,(H,27,28)(H,30,33);3-12H,1-2H3,(H,25,28);2-10H,1H3,(H,20,21)(H,23,26) |
| InChIKey | QZLWTJNMQBHCPG-UHFFFAOYSA-N |
| XLogP | 13.59 |
| TPSA | 443.96 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1659.86 |
| LogP ≤ 5 | 13.59 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |