C114H102F3N21O5 — CID 160533790
5-benzyl-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 160533790) has the molecular formula C114H102F3N21O5 and a molecular weight of 1903.21 g/mol. Its IUPAC name is 5-benzyl-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
| Compound Name | 5-benzyl-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160533790 |
| Molecular Formula | C114H102F3N21O5 |
| Molecular Weight | 1903.21 g/mol |
| Exact Mass | 1901.83 |
| IUPAC Name | 5-benzyl-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide |
| SMILES | Cc1ccc(Cc2cncc(C(=O)NCc3[nH]nc4ccc(C)cc34)c2)cc1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C#N)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C(F)(F)F)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccccc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccccc4C)c3)c2c1 |
| InChI | InChI=1S/C23H19F3N4O.C23H19N5O.2C23H22N4O.C22H20N4O/c1-14-2-7-20-19(8-14)21(30-29-20)13-28-22(31)17-10-16(11-27-12-17)9-15-3-5-18(6-4-15)23(24,25)26;1-15-2-7-21-20(8-15)22(28-27-21)14-26-23(29)19-10-18(12-25-13-19)9-16-3-5-17(11-24)6-4-16;1-15-3-6-17(7-4-15)10-18-11-19(13-24-12-18)23(28)25-14-22-20-9-16(2)5-8-21(20)26-27-22;1-15-7-8-21-20(9-15)22(27-26-21)14-25-23(28)19-11-17(12-24-13-19)10-18-6-4-3-5-16(18)2;1-15-7-8-20-19(9-15)21(26-25-20)14-24-22(27)18-11-17(12-23-13-18)10-16-5-3-2-4-6-16/h2-8,10-12H,9,13H2,1H3,(H,28,31)(H,29,30);2-8,10,12-13H,9,14H2,1H3,(H,26,29)(H,27,28);2*3-9,11-13H,10,14H2,1-2H3,(H,25,28)(H,26,27);2-9,11-13H,10,14H2,1H3,(H,24,27)(H,25,26) |
| InChIKey | QVWWDSNWFILAFJ-UHFFFAOYSA-N |
| XLogP | 20.44 |
| TPSA | 377.14 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1903.21 |
| LogP ≤ 5 | 20.44 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 16 |