C112H94F4N24O9 — CID 157476340
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157476340) has the molecular formula C112H94F4N24O9 and a molecular weight of 1996.13 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157476340 |
| Molecular Formula | C112H94F4N24O9 |
| Molecular Weight | 1996.13 g/mol |
| Exact Mass | 1994.76 |
| IUPAC Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5cccc(F)c5)nc4)c3c2)c1.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C29H25FN6O2.C28H23FN6O3.C28H23FN6O2.C27H23FN6O2/c30-21-5-4-6-24(15-21)38-27-10-8-22(17-32-27)33-29(37)28-25-14-19(7-9-26(25)34-35-28)20-13-23(18-31-16-20)36-11-2-1-3-12-36;29-20-2-1-3-23(14-20)38-26-7-5-21(16-31-26)32-28(36)27-24-13-18(4-6-25(24)33-34-27)19-12-22(17-30-15-19)35-8-10-37-11-9-35;29-20-4-3-5-23(14-20)37-26-9-7-21(16-31-26)32-28(36)27-24-13-18(6-8-25(24)33-34-27)19-12-22(17-30-15-19)35-10-1-2-11-35;1-34(2)16-17-10-19(14-29-13-17)18-6-8-24-23(11-18)26(33-32-24)27(35)31-21-7-9-25(30-15-21)36-22-5-3-4-20(28)12-22/h4-10,13-18H,1-3,11-12H2,(H,33,37)(H,34,35);1-7,12-17H,8-11H2,(H,32,36)(H,33,34);3-9,12-17H,1-2,10-11H2,(H,32,36)(H,33,34);3-15H,16H2,1-2H3,(H,31,35)(H,32,33) |
| InChIKey | BVQCMZCILYAFSP-UHFFFAOYSA-N |
| XLogP | 22.30 |
| TPSA | 393.35 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1996.13 |
| LogP ≤ 5 | 22.30 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |