C118H95F15N32O17 — CID 157109304
1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid (PubChem CID 157109304) has the molecular formula C118H95F15N32O17 and a molecular weight of 2518.23 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid.
| Compound Name | 1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid |
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| PubChem CID | 157109304 |
| Molecular Formula | C118H95F15N32O17 |
| Molecular Weight | 2518.23 g/mol |
| Exact Mass | 2516.73 |
| IUPAC Name | 1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid |
| SMILES | CCNC(=O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.CNC(=O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COC(=O)CCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COCCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.O=C(O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)ccc1=O |
| InChI | InChI=1S/C25H21F3N6O4.C24H20F3N7O3.C24H21F3N6O3.C23H18F3N7O3.C22H15F3N6O4/c1-38-23(36)5-3-11-33-15-17(6-9-22(33)35)24(37)31-21-8-7-18(14-30-21)34-20(25(26,27)28)12-19(32-34)16-4-2-10-29-13-16;1-2-29-21(35)14-33-13-16(5-8-22(33)36)23(37)31-20-7-6-17(12-30-20)34-19(24(25,26)27)10-18(32-34)15-4-3-9-28-11-15;1-36-11-3-10-32-15-17(5-8-22(32)34)23(35)30-21-7-6-18(14-29-21)33-20(24(25,26)27)12-19(31-33)16-4-2-9-28-13-16;1-27-20(34)13-32-12-15(4-7-21(32)35)22(36)30-19-6-5-16(11-29-19)33-18(23(24,25)26)9-17(31-33)14-3-2-8-28-10-14;23-22(24,25)17-8-16(13-2-1-7-26-9-13)29-31(17)18-5-4-15(10-27-18)28-21(35)14-3-6-19(32)30(11-14)12-20(33)34/h2,4,6-10,12-15H,3,5,11H2,1H3,(H,30,31,37);3-13H,2,14H2,1H3,(H,29,35)(H,30,31,37);2,4-9,12-15H,3,10-11H2,1H3,(H,29,30,35);2-12H,13H2,1H3,(H,27,34)(H,29,30,36);1-11H,12H2,(H,28,35)(H,33,34) |
| InChIKey | AGQSJARPRYHPCL-UHFFFAOYSA-N |
| XLogP | 15.77 |
| TPSA | 604.53 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2518.23 |
| LogP ≤ 5 | 15.77 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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