C144H111F7N30O3 — CID 158711780
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 158711780) has the molecular formula C144H111F7N30O3 and a molecular weight of 2442.66 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
| Compound Name | 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide |
|---|---|
| PubChem CID | 158711780 |
| Molecular Formula | C144H111F7N30O3 |
| Molecular Weight | 2442.66 g/mol |
| Exact Mass | 2440.93 |
| IUPAC Name | 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide |
| SMILES | CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1.Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1)C1CC1 |
| InChI | InChI=1S/C30H23F3N6.C30H25FN6O.C29H21FN6O.C28H21FN6O.C27H21FN6/c31-22-4-1-3-20(12-22)23-5-2-6-26-27(23)36-29(35-26)28-24-13-19(7-8-25(24)37-38-28)21-11-18(14-34-15-21)16-39-10-9-30(32,33)17-39;1-17(2)11-27(38)33-22-13-20(15-32-16-22)18-9-10-25-24(14-18)29(37-36-25)30-34-26-8-4-7-23(28(26)35-30)19-5-3-6-21(31)12-19;30-20-4-1-3-18(11-20)22-5-2-6-25-26(22)34-28(33-25)27-23-13-17(9-10-24(23)35-36-27)19-12-21(15-31-14-19)32-29(37)16-7-8-16;1-2-25(36)31-20-12-18(14-30-15-20)16-9-10-23-22(13-16)27(35-34-23)28-32-24-8-4-7-21(26(24)33-28)17-5-3-6-19(29)11-17;1-34(2)20-12-18(14-29-15-20)16-9-10-23-22(13-16)26(33-32-23)27-30-24-8-4-7-21(25(24)31-27)17-5-3-6-19(28)11-17/h1-8,11-15H,9-10,16-17H2,(H,35,36)(H,37,38);3-10,12-17H,11H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);1-6,9-16H,7-8H2,(H,32,37)(H,33,34)(H,35,36);3-15H,2H2,1H3,(H,31,36)(H,32,33)(H,34,35);3-15H,1-2H3,(H,30,31)(H,32,33) |
| InChIKey | IIUVDMKYLOBIKZ-UHFFFAOYSA-N |
| XLogP | 32.46 |
| TPSA | 445.03 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2442.66 |
| LogP ≤ 5 | 32.46 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 20 |