C93H105N25O4 — CID 157435507
N-[4-cyclopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide;2-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 157435507) has the molecular formula C93H105N25O4 and a molecular weight of 1637.03 g/mol. Its IUPAC name is N-[4-cyclopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide;2-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-cyclopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide;2-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157435507 |
| Molecular Formula | C93H105N25O4 |
| Molecular Weight | 1637.03 g/mol |
| Exact Mass | 1635.88 |
| IUPAC Name | N-[4-cyclopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide;2-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide |
| SMILES | CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3cnccn3)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1.Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1.O=C(Nc1ccc(C2CC2)cc1N1CCN(c2cnccn2)CC1)c1cccnc1 |
| InChI | InChI=1S/C24H28N6O.C23H27N7O.C23H24N6O.C23H26N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-8-26-18(20)3)22(15-19)29-11-13-30(14-12-29)23-16-25-9-10-27-23;1-16(2)18-4-5-19(28-23(31)20-14-26-17(3)13-27-20)21(12-18)29-8-10-30(11-9-29)22-15-24-6-7-25-22;30-23(19-2-1-7-24-15-19)27-20-6-5-18(17-3-4-17)14-21(20)28-10-12-29(13-11-28)22-16-25-8-9-26-22;1-17(2)18-5-6-20(27-23(30)19-4-3-7-24-15-19)21(14-18)28-10-12-29(13-11-28)22-16-25-8-9-26-22/h4-10,15-17H,11-14H2,1-3H3,(H,28,31);4-7,12-16H,8-11H2,1-3H3,(H,28,31);1-2,5-9,14-17H,3-4,10-13H2,(H,27,30);3-9,14-17H,10-13H2,1-2H3,(H,27,30) |
| InChIKey | BRAXETXDCDADPI-UHFFFAOYSA-N |
| XLogP | 14.06 |
| TPSA | 309.89 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 122 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1637.03 |
| LogP ≤ 5 | 14.06 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |