C116H93F4N23O6 — CID 157235992
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157235992) has the molecular formula C116H93F4N23O6 and a molecular weight of 1981.17 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157235992 |
| Molecular Formula | C116H93F4N23O6 |
| Molecular Weight | 1981.17 g/mol |
| Exact Mass | 1979.76 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(-c2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(-c2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(-c2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(-c2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C30H20FN5O2.C29H25FN6O2.C29H25FN6O.C28H23FN6O/c31-26-9-5-4-8-24(26)27-13-11-21(17-33-27)34-30(37)29-25-15-19(10-12-28(25)35-36-29)20-14-23(18-32-16-20)38-22-6-2-1-3-7-22;30-25-4-2-1-3-23(25)26-8-6-22(17-32-26)33-29(37)28-24-14-20(5-7-27(24)34-35-28)21-13-19(15-31-16-21)18-36-9-11-38-12-10-36;30-25-6-2-1-5-23(25)26-10-8-22(17-32-26)33-29(37)28-24-14-20(7-9-27(24)34-35-28)21-13-19(15-31-16-21)18-36-11-3-4-12-36;29-24-5-2-1-4-22(24)25-9-7-21(16-31-25)32-28(36)27-23-13-19(6-8-26(23)33-34-27)20-12-18(14-30-15-20)17-35-10-3-11-35/h1-18H,(H,34,37)(H,35,36);1-8,13-17H,9-12,18H2,(H,33,37)(H,34,35);1-2,5-10,13-17H,3-4,11-12,18H2,(H,33,37)(H,34,35);1-2,4-9,12-16H,3,10-11,17H2,(H,32,36)(H,33,34) |
| InChIKey | AUQHSAHNCSYBLZ-UHFFFAOYSA-N |
| XLogP | 22.74 |
| TPSA | 362.42 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1981.17 |
| LogP ≤ 5 | 22.74 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |