C127H96F15N31O14S — CID 160614614
1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 160614614) has the molecular formula C127H96F15N31O14S and a molecular weight of 2597.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
| Compound Name | 1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide |
|---|---|
| PubChem CID | 160614614 |
| Molecular Formula | C127H96F15N31O14S |
| Molecular Weight | 2597.40 g/mol |
| Exact Mass | 2595.72 |
| IUPAC Name | 1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide |
| SMILES | CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(=O)n(CC(=O)N2CCOCC2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(=O)n(CCO)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(=O)[nH]c2)c1 |
| InChI | InChI=1S/C32H25F3N6O2.C26H22F3N7O4.C25H16F3N7O2.C22H17F3N6O3.C22H16F3N5O3S/c33-32(34,35)28-18-27(25-7-4-14-36-19-25)39-41(28)26-12-13-29(37-20-26)38-30(42)24-6-3-5-23(17-24)21-8-10-22(11-9-21)31(43)40-15-1-2-16-40;27-26(28,29)21-12-20(17-2-1-7-30-13-17)33-36(21)19-4-5-22(31-14-19)32-25(39)18-3-6-23(37)35(15-18)16-24(38)34-8-10-40-11-9-34;26-25(27,28)20-12-19(18-5-2-10-29-13-18)34-35(20)22-8-7-21(32-33-22)31-24(37)16-4-1-3-15(11-16)17-6-9-23(36)30-14-17;23-22(24,25)18-10-17(14-2-1-7-26-11-14)29-31(18)16-4-5-19(27-12-16)28-21(34)15-3-6-20(33)30(13-15)8-9-32;1-34(32,33)17-6-2-4-14(10-17)21(31)28-20-8-7-16(13-27-20)30-19(22(23,24)25)11-18(29-30)15-5-3-9-26-12-15/h3-14,17-20H,1-2,15-16H2,(H,37,38,42);1-7,12-15H,8-11,16H2,(H,31,32,39);1-14H,(H,30,36)(H,31,32,37);1-7,10-13,32H,8-9H2,(H,27,28,34);2-13H,1H3,(H,27,28,31) |
| InChIKey | RFXVANNGRZMBRA-UHFFFAOYSA-N |
| XLogP | 20.23 |
| TPSA | 557.47 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2597.40 |
| LogP ≤ 5 | 20.23 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 37 |