C117H102F3N29O6 — CID 157356698
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 157356698) has the molecular formula C117H102F3N29O6 and a molecular weight of 2067.29 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
| Compound Name | N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157356698 |
| Molecular Formula | C117H102F3N29O6 |
| Molecular Weight | 2067.29 g/mol |
| Exact Mass | 2065.85 |
| IUPAC Name | N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cn2)CC1.CN1CCN(c2ccncc2NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1.O=C(Nc1cccc(-c2cccc(F)c2)c1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12 |
| InChI | InChI=1S/C25H17FN4O.C24H21F2N5O.2C23H23N7O.C22H18N6O2/c26-20-7-1-4-16(12-20)17-5-2-8-21(13-17)28-25(31)24-22-14-18(9-10-23(22)29-30-24)19-6-3-11-27-15-19;25-24(26)8-9-31(15-24)14-16-10-18(13-27-12-16)17-6-7-21-20(11-17)22(30-29-21)23(32)28-19-4-2-1-3-5-19;1-29-9-11-30(12-10-29)21-7-5-18(15-25-21)26-23(31)22-19-13-16(4-6-20(19)27-28-22)17-3-2-8-24-14-17;1-29-9-11-30(12-10-29)21-6-8-25-15-20(21)26-23(31)22-18-13-16(4-5-19(18)27-28-22)17-3-2-7-24-14-17;29-21(13-3-4-13)25-18-7-9-24-12-19(18)26-22(30)20-16-10-14(5-6-17(16)27-28-20)15-2-1-8-23-11-15/h1-15H,(H,28,31)(H,29,30);1-7,10-13H,8-9,14-15H2,(H,28,32)(H,29,30);2*2-8,13-15H,9-12H2,1H3,(H,26,31)(H,27,28);1-2,5-13H,3-4H2,(H,26,30)(H,27,28)(H,24,25,29) |
| InChIKey | BIDYXHBOPJRJRQ-UHFFFAOYSA-N |
| XLogP | 20.07 |
| TPSA | 437.32 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2067.29 |
| LogP ≤ 5 | 20.07 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |