C137H111N35O10 — CID 157326373
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 157326373) has the molecular formula C137H111N35O10 and a molecular weight of 2407.63 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide.
| Compound Name | N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide |
|---|---|
| PubChem CID | 157326373 |
| Molecular Formula | C137H111N35O10 |
| Molecular Weight | 2407.63 g/mol |
| Exact Mass | 2405.93 |
| IUPAC Name | N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide |
| SMILES | CCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CCC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CCCC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CCCCC1 |
| InChI | InChI=1S/C29H25N7O2.C28H23N7O2.C27H21N7O2.C27H23N7O2.C26H19N7O2/c37-29(17-5-2-1-3-6-17)32-21-11-19(13-30-15-21)20-12-23-26(35-36-27(23)31-14-20)28-33-24-8-4-7-22(25(24)34-28)18-9-10-38-16-18;36-28(16-4-1-2-5-16)31-20-10-18(12-29-14-20)19-11-22-25(34-35-26(22)30-13-19)27-32-23-7-3-6-21(24(23)33-27)17-8-9-37-15-17;35-27(15-3-1-4-15)30-19-9-17(11-28-13-19)18-10-21-24(33-34-25(21)29-12-18)26-31-22-6-2-5-20(23(22)32-26)16-7-8-36-14-16;1-2-3-7-23(35)30-19-10-17(12-28-14-19)18-11-21-25(33-34-26(21)29-13-18)27-31-22-6-4-5-20(24(22)32-27)16-8-9-36-15-16;34-26(14-4-5-14)29-18-8-16(10-27-12-18)17-9-20-23(32-33-24(20)28-11-17)25-30-21-3-1-2-19(22(21)31-25)15-6-7-35-13-15/h4,7-17H,1-3,5-6H2,(H,32,37)(H,33,34)(H,31,35,36);3,6-16H,1-2,4-5H2,(H,31,36)(H,32,33)(H,30,34,35);2,5-15H,1,3-4H2,(H,30,35)(H,31,32)(H,29,33,34);4-6,8-15H,2-3,7H2,1H3,(H,30,35)(H,31,32)(H,29,33,34);1-3,6-14H,4-5H2,(H,29,34)(H,30,31)(H,28,32,33) |
| InChIKey | BETQPDLSKKJPBN-UHFFFAOYSA-N |
| XLogP | 28.98 |
| TPSA | 626.90 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2407.63 |
| LogP ≤ 5 | 28.98 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |