C105H90F2N32O7 — CID 159829573
bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylcyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-piperidin-1-ylbenzamide (PubChem CID 159829573) has the molecular formula C105H90F2N32O7 and a molecular weight of 1950.09 g/mol. Its IUPAC name is bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylcyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-piperidin-1-ylbenzamide.
| Compound Name | bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylcyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-piperidin-1-ylbenzamide |
|---|---|
| PubChem CID | 159829573 |
| Molecular Formula | C105H90F2N32O7 |
| Molecular Weight | 1950.09 g/mol |
| Exact Mass | 1948.76 |
| IUPAC Name | bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylcyclopenta-1,4-diene-1-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-piperidin-1-ylbenzamide |
| SMILES | CC1=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C=CC1.Cc1cc(N2CCCCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F |
| InChI | InChI=1S/C23H24N6O.C17H12F2N6O.C17H15N5O.C16H13N5O2.2C16H13N5O/c1-15-13-16(29-11-5-2-6-12-29)9-10-17(15)23(30)27-20-14-24-28-21(20)22-25-18-7-3-4-8-19(18)26-22;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-10-5-4-6-11(10)17(23)21-14-9-18-22-15(14)16-19-12-7-2-3-8-13(12)20-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;2*22-16(10-5-1-2-6-10)20-13-9-17-21-14(13)15-18-11-7-3-4-8-12(11)19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,28)(H,25,26)(H,27,30);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2-4,6-9H,5H2,1H3,(H,18,22)(H,19,20)(H,21,23);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1,3-9H,2H2,(H,17,21)(H,18,19)(H,20,22) |
| InChIKey | NNHCRXBZXLXQTO-UHFFFAOYSA-N |
| XLogP | 20.21 |
| TPSA | 547.17 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1950.09 |
| LogP ≤ 5 | 20.21 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 20 |