C120H108F4N24O4 — CID 158308585
N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158308585) has the molecular formula C120H108F4N24O4 and a molecular weight of 2026.34 g/mol. Its IUPAC name is N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158308585 |
| Molecular Formula | C120H108F4N24O4 |
| Molecular Weight | 2026.34 g/mol |
| Exact Mass | 2024.89 |
| IUPAC Name | N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C31H28F2N6O.C30H26F2N6O.C30H28N6O.C29H26N6O/c32-31(33)10-12-39(13-11-31)20-22-14-24(18-34-17-22)23-6-9-28-27(16-23)29(38-37-28)30(40)36-26-8-7-25(35-19-26)15-21-4-2-1-3-5-21;31-30(32)10-11-38(19-30)18-21-12-23(16-33-15-21)22-6-9-27-26(14-22)28(37-36-27)29(39)35-25-8-7-24(34-17-25)13-20-4-2-1-3-5-20;37-30(33-25-11-10-24(32-19-25)15-21-7-3-1-4-8-21)29-27-17-22(9-12-28(27)34-35-29)23-16-26(20-31-18-23)36-13-5-2-6-14-36;36-29(32-24-10-9-23(31-18-24)14-20-6-2-1-3-7-20)28-26-16-21(8-11-27(26)33-34-28)22-15-25(19-30-17-22)35-12-4-5-13-35/h1-9,14,16-19H,10-13,15,20H2,(H,36,40)(H,37,38);1-9,12,14-17H,10-11,13,18-19H2,(H,35,39)(H,36,37);1,3-4,7-12,16-20H,2,5-6,13-15H2,(H,33,37)(H,34,35);1-3,6-11,15-19H,4-5,12-14H2,(H,32,36)(H,33,34) |
| InChIKey | GNKBDDMARDXOAY-UHFFFAOYSA-N |
| XLogP | 23.11 |
| TPSA | 347.20 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2026.34 |
| LogP ≤ 5 | 23.11 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |