C91H73F10N33O10 — CID 165033592
1-(5-amino-1H-indazol-6-yl)pyrazole-4-carbonitrile;N-[6-(4-cyanopyrazol-1-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(4-cyanopyrazol-1-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;6-fluoro-5-nitro-1H-indazole;2-(3-methylcyclobutyl)propan-2-ol;1-(5-nitro-1H-indazol-6-yl)pyrazole-4-carbonitrile;1H-pyrazole-4-carbonitrile;6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 165033592) has the molecular formula C91H73F10N33O10 and a molecular weight of 1978.79 g/mol. Its IUPAC name is 1-(5-amino-1H-indazol-6-yl)pyrazole-4-carbonitrile;N-[6-(4-cyanopyrazol-1-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(4-cyanopyrazol-1-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;6-fluoro-5-nitro-1H-indazole;2-(3-methylcyclobutyl)propan-2-ol;1-(5-nitro-1H-indazol-6-yl)pyrazole-4-carbonitrile;1H-pyrazole-4-carbonitrile;6-(trifluoromethyl)pyridine-2-carboxylic acid.
| Compound Name | 1-(5-amino-1H-indazol-6-yl)pyrazole-4-carbonitrile;N-[6-(4-cyanopyrazol-1-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(4-cyanopyrazol-1-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;6-fluoro-5-nitro-1H-indazole;2-(3-methylcyclobutyl)propan-2-ol;1-(5-nitro-1H-indazol-6-yl)pyrazole-4-carbonitrile;1H-pyrazole-4-carbonitrile;6-(trifluoromethyl)pyridine-2-carboxylic acid |
|---|---|
| PubChem CID | 165033592 |
| Molecular Formula | C91H73F10N33O10 |
| Molecular Weight | 1978.79 g/mol |
| Exact Mass | 1977.61 |
| IUPAC Name | 1-(5-amino-1H-indazol-6-yl)pyrazole-4-carbonitrile;N-[6-(4-cyanopyrazol-1-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(4-cyanopyrazol-1-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;6-fluoro-5-nitro-1H-indazole;2-(3-methylcyclobutyl)propan-2-ol;1-(5-nitro-1H-indazol-6-yl)pyrazole-4-carbonitrile;1H-pyrazole-4-carbonitrile;6-(trifluoromethyl)pyridine-2-carboxylic acid |
| SMILES | CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cc(C#N)cn4)cc3n2)C1.CC1CC(C(C)(C)O)C1.N#Cc1cn[nH]c1.N#Cc1cnn(-c2cc3[nH]ncc3cc2N)c1.N#Cc1cnn(-c2cc3[nH]ncc3cc2NC(=O)c2cccc(C(F)(F)F)n2)c1.N#Cc1cnn(-c2cc3[nH]ncc3cc2[N+](=O)[O-])c1.O=C(O)c1cccc(C(F)(F)F)n1.O=[N+]([O-])c1cc2cn[nH]c2cc1F |
| InChI | InChI=1S/C25H22F3N7O2.C18H10F3N7O.C11H6N6O2.C11H8N6.C8H16O.C7H4F3NO2.C7H4FN3O2.C4H3N3/c1-24(2,37)16-7-17(8-16)34-13-15-6-20(21(9-19(15)33-34)35-12-14(10-29)11-30-35)32-23(36)18-4-3-5-22(31-18)25(26,27)28;19-18(20,21)16-3-1-2-12(25-16)17(29)26-14-4-11-8-23-27-13(11)5-15(14)28-9-10(6-22)7-24-28;12-3-7-4-14-16(6-7)10-2-9-8(5-13-15-9)1-11(10)17(18)19;12-3-7-4-15-17(6-7)11-2-10-8(1-9(11)13)5-14-16-10;1-6-4-7(5-6)8(2,3)9;8-7(9,10)5-3-1-2-4(11-5)6(12)13;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;5-1-4-2-6-7-3-4/h3-6,9,11-13,16-17,37H,7-8H2,1-2H3,(H,32,36);1-5,7-9H,(H,23,27)(H,26,29);1-2,4-6H,(H,13,15);1-2,4-6H,13H2,(H,14,16);6-7,9H,4-5H2,1-3H3;1-3H,(H,12,13);1-3H,(H,9,10);2-3H,(H,6,7) |
| InChIKey | NARKWOBRKIWYLX-UHFFFAOYSA-N |
| XLogP | 15.99 |
| TPSA | 638.38 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.79 |
| LogP ≤ 5 | 15.99 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|