C113H95F5N24O10 — CID 157210321
5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157210321) has the molecular formula C113H95F5N24O10 and a molecular weight of 2044.15 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157210321 |
| Molecular Formula | C113H95F5N24O10 |
| Molecular Weight | 2044.15 g/mol |
| Exact Mass | 2042.76 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)c1.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C30H27FN6O3.C30H28N6O3.C29H23F3N6O2.C24H17FN6O2/c31-22-2-1-3-25(14-22)40-28-7-5-23(17-33-28)34-30(39)29-26-13-20(4-6-27(26)35-36-29)21-12-19(15-32-16-21)18-37-10-8-24(38)9-11-37;1-20-3-2-4-25(13-20)39-28-8-6-24(18-32-28)33-30(37)29-26-15-22(5-7-27(26)34-35-29)23-14-21(16-31-17-23)19-36-9-11-38-12-10-36;30-23-3-1-2-4-25(23)40-26-8-6-21(15-34-26)35-28(39)27-22-12-19(5-7-24(22)36-37-27)20-11-18(13-33-14-20)16-38-10-9-29(31,32)17-38;25-19-3-1-2-4-21(19)33-22-8-6-17(13-28-22)29-24(32)23-18-10-14(5-7-20(18)30-31-23)15-9-16(26)12-27-11-15/h1-7,12-17,24,38H,8-11,18H2,(H,34,39)(H,35,36);2-8,13-18H,9-12,19H2,1H3,(H,33,37)(H,34,35);1-8,11-15H,9-10,16-17H2,(H,35,39)(H,36,37);1-13H,26H2,(H,29,32)(H,30,31) |
| InChIKey | ARUVZCVESPHGIA-UHFFFAOYSA-N |
| XLogP | 21.20 |
| TPSA | 436.36 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2044.15 |
| LogP ≤ 5 | 21.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |