C137H125F5N28O10 — CID 158421924
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158421924) has the molecular formula C137H125F5N28O10 and a molecular weight of 2418.68 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158421924 |
| Molecular Formula | C137H125F5N28O10 |
| Molecular Weight | 2418.68 g/mol |
| Exact Mass | 2417.01 |
| IUPAC Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C29H28F2N6O2.C28H26F2N6O2.C28H28N6O2.C27H26N6O2.C25H17FN4O2/c30-29(31)9-11-37(12-10-29)17-18-13-21(16-32-15-18)20-7-8-23-22(14-20)26(36-35-23)28(39)34-25-4-2-1-3-24(25)33-27(38)19-5-6-19;29-28(30)9-10-36(16-28)15-17-11-20(14-31-13-17)19-7-8-22-21(12-19)25(35-34-22)27(38)33-24-4-2-1-3-23(24)32-26(37)18-5-6-18;35-27(18-8-9-18)30-24-6-2-3-7-25(24)31-28(36)26-22-15-19(10-11-23(22)32-33-26)20-14-21(17-29-16-20)34-12-4-1-5-13-34;34-26(17-7-8-17)29-23-5-1-2-6-24(23)30-27(35)25-21-14-18(9-10-22(21)31-32-25)19-13-20(16-28-15-19)33-11-3-4-12-33;26-18-5-4-6-19(13-18)28-25(31)24-22-12-16(9-10-23(22)29-30-24)17-11-21(15-27-14-17)32-20-7-2-1-3-8-20/h1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,33,38)(H,34,39)(H,35,36);1-4,7-8,11-14,18H,5-6,9-10,15-16H2,(H,32,37)(H,33,38)(H,34,35);2-3,6-7,10-11,14-18H,1,4-5,8-9,12-13H2,(H,30,35)(H,31,36)(H,32,33);1-2,5-6,9-10,13-17H,3-4,7-8,11-12H2,(H,29,34)(H,30,35)(H,31,32);1-15H,(H,28,31)(H,29,30) |
| InChIKey | HAOYRABLTANBRZ-UHFFFAOYSA-N |
| XLogP | 26.37 |
| TPSA | 491.94 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2418.68 |
| LogP ≤ 5 | 26.37 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 24 |