C102H87F6N33O9 — CID 160648812
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methoxycyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-2H-pyrrole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-2-(trifluoromethyl)cyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide (PubChem CID 160648812) has the molecular formula C102H87F6N33O9 and a molecular weight of 2033.03 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methoxycyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-2H-pyrrole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-2-(trifluoromethyl)cyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide.
| Compound Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methoxycyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-2H-pyrrole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-2-(trifluoromethyl)cyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide |
|---|---|
| PubChem CID | 160648812 |
| Molecular Formula | C102H87F6N33O9 |
| Molecular Weight | 2033.03 g/mol |
| Exact Mass | 2031.73 |
| IUPAC Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methoxycyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-2H-pyrrole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-2-(trifluoromethyl)cyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide |
| SMILES | CC1=CC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)=C(C(F)(F)F)C1.CC1=CC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)=NC1.COC1=CCC=C1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1noc(C(F)(F)F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1oc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cc[nH]c1 |
| InChI | InChI=1S/C20H21N5O2.C18H14F3N5O.C17H15N5O2.C16H11F3N6O2.C16H14N6O.C15H12N6O/c1-11-12(9-16(27-11)20(2,3)4)19(26)24-15-10-21-25-17(15)18-22-13-7-5-6-8-14(13)23-18;1-9-6-10(11(7-9)18(19,20)21)17(27)25-14-8-22-26-15(14)16-23-12-4-2-3-5-13(12)24-16;1-24-14-8-4-5-10(14)17(23)21-13-9-18-22-15(13)16-19-11-6-2-3-7-12(11)20-16;1-7-11(13(27-25-7)16(17,18)19)15(26)23-10-6-20-24-12(10)14-21-8-4-2-3-5-9(8)22-14;1-9-6-12(17-7-9)16(23)21-13-8-18-22-14(13)15-19-10-4-2-3-5-11(10)20-15;22-15(9-5-6-16-7-9)20-12-8-17-21-13(12)14-18-10-3-1-2-4-11(10)19-14/h5-10H,1-4H3,(H,21,25)(H,22,23)(H,24,26);2-6,8H,7H2,1H3,(H,22,26)(H,23,24)(H,25,27);2-3,5-9H,4H2,1H3,(H,18,22)(H,19,20)(H,21,23);2-6H,1H3,(H,20,24)(H,21,22)(H,23,26);2-6,8H,7H2,1H3,(H,18,22)(H,19,20)(H,21,23);1-8,16H,(H,17,21)(H,18,19)(H,20,22) |
| InChIKey | RKDLKBVZQNNOGU-UHFFFAOYSA-N |
| XLogP | 19.60 |
| TPSA | 595.31 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2033.03 |
| LogP ≤ 5 | 19.60 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 23 |