C112H95F4N33O11 — CID 160760630
6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;4-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyrimidine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-propan-2-yloxy-3-pyridinyl)pyridine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 160760630) has the molecular formula C112H95F4N33O11 and a molecular weight of 2155.20 g/mol. Its IUPAC name is 6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;4-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyrimidine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-propan-2-yloxy-3-pyridinyl)pyridine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
| Compound Name | 6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;4-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyrimidine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-propan-2-yloxy-3-pyridinyl)pyridine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160760630 |
| Molecular Formula | C112H95F4N33O11 |
| Molecular Weight | 2155.20 g/mol |
| Exact Mass | 2153.78 |
| IUPAC Name | 6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;4-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyrimidine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-propan-2-yloxy-3-pyridinyl)pyridine-2-carboxamide;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide |
| SMILES | CC(C)Oc1cncc(-c2cccc(C(=O)Nc3cn(C4COC4)nc3-c3ccccn3)n2)c1.Cc1[nH]ncc1Cc1ccnc(C(=O)Nc2cn(C)nc2-c2ccccn2)n1.NC(=O)c1cncc(-c2cccc(C(=O)Nc3cn(C4COC4)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(C2COC2)nc1-c1ccccn1)c1cccc(-c2cncc(C(F)(F)F)c2)n1.O=C(Nc1cn(C2COC2)nc1-c1ccccn1)c1cccc(-c2cncc(F)c2)n1 |
| InChI | InChI=1S/C25H24N6O3.C23H17F3N6O2.C23H19N7O3.C22H17FN6O2.C19H18N8O/c1-16(2)34-19-10-17(11-26-12-19)20-7-5-8-22(28-20)25(32)29-23-13-31(18-14-33-15-18)30-24(23)21-6-3-4-9-27-21;24-23(25,26)15-8-14(9-27-10-15)17-5-3-6-19(29-17)22(33)30-20-11-32(16-12-34-13-16)31-21(20)18-4-1-2-7-28-18;24-22(31)15-8-14(9-25-10-15)17-5-3-6-19(27-17)23(32)28-20-11-30(16-12-33-13-16)29-21(20)18-4-1-2-7-26-18;23-15-8-14(9-24-10-15)17-5-3-6-19(26-17)22(30)27-20-11-29(16-12-31-13-16)28-21(20)18-4-1-2-7-25-18;1-12-13(10-22-25-12)9-14-6-8-21-18(23-14)19(28)24-16-11-27(2)26-17(16)15-5-3-4-7-20-15/h3-13,16,18H,14-15H2,1-2H3,(H,29,32);1-11,16H,12-13H2,(H,30,33);1-11,16H,12-13H2,(H2,24,31)(H,28,32);1-11,16H,12-13H2,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,22,25)(H,24,28) |
| InChIKey | RYABETLDSLEMKK-UHFFFAOYSA-N |
| XLogP | 16.09 |
| TPSA | 545.87 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2155.20 |
| LogP ≤ 5 | 16.09 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 37 |