C100H89F5N14O14 — CID 161407598
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 161407598) has the molecular formula C100H89F5N14O14 and a molecular weight of 1805.89 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide.
| Compound Name | 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide |
|---|---|
| PubChem CID | 161407598 |
| Molecular Formula | C100H89F5N14O14 |
| Molecular Weight | 1805.89 g/mol |
| Exact Mass | 1804.66 |
| IUPAC Name | 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide |
| SMILES | COc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.COc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1.COc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOC2)o1.O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1 |
| InChI | InChI=1S/C26H24FN3O4.C26H24FN3O3.C24H20F2N4O3.C24H21FN4O4/c1-32-21-5-3-2-4-20(21)29-26(31)23-11-10-22(34-23)25-24(18-6-8-19(27)9-7-18)28-16-30(25)14-17-12-13-33-15-17;1-32-21-9-5-4-8-20(21)29-26(31)23-15-14-22(33-23)25-24(17-10-12-18(27)13-11-17)28-16-30(25)19-6-2-3-7-19;25-17-3-1-16(2-4-17)22-23(30(14-28-22)12-15-8-10-32-13-15)20-5-6-21(33-20)24(31)29-19-7-9-27-11-18(19)26;1-31-21-12-26-10-8-18(21)28-24(30)20-7-6-19(33-20)23-22(15-2-4-16(25)5-3-15)27-14-29(23)17-9-11-32-13-17/h2-11,16-17H,12-15H2,1H3,(H,29,31);4-5,8-16,19H,2-3,6-7H2,1H3,(H,29,31);1-7,9,11,14-15H,8,10,12-13H2,(H,27,29,31);2-8,10,12,14,17H,9,11,13H2,1H3,(H,26,28,30) |
| InChIKey | VVAVYSINNJJIGD-UHFFFAOYSA-N |
| XLogP | 20.91 |
| TPSA | 321.40 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 133 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1805.89 |
| LogP ≤ 5 | 20.91 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |