C151H129F6N29O13 — CID 159983026
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159983026) has the molecular formula C151H129F6N29O13 and a molecular weight of 2671.87 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159983026 |
| Molecular Formula | C151H129F6N29O13 |
| Molecular Weight | 2671.87 g/mol |
| Exact Mass | 2670.02 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(Oc6ccccc6)c5)cc34)cn2)cc1.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12 |
| InChI | InChI=1S/C31H30N6O3.C31H23N5O3.C30H25F3N6O2.C30H28N6O3.C29H23F3N6O2/c1-20-2-6-26(7-3-20)40-29-9-5-24(18-33-29)34-31(39)30-27-15-22(4-8-28(27)35-36-30)23-14-21(16-32-17-23)19-37-12-10-25(38)11-13-37;1-20-7-11-25(12-8-20)39-29-14-10-23(18-33-29)34-31(37)30-27-16-21(9-13-28(27)35-36-30)22-15-26(19-32-17-22)38-24-5-3-2-4-6-24;31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39;1-20-2-6-25(7-3-20)39-28-9-5-24(18-32-28)33-30(37)29-26-15-22(4-8-27(26)34-35-29)23-14-21(16-31-17-23)19-36-10-12-38-13-11-36;30-21-2-1-3-23(12-21)40-26-7-5-22(15-34-26)35-28(39)27-24-11-19(4-6-25(24)36-37-27)20-10-18(13-33-14-20)16-38-9-8-29(31,32)17-38/h2-9,14-18,25,38H,10-13,19H2,1H3,(H,34,39)(H,35,36);2-19H,1H3,(H,34,37)(H,35,36);1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);2-9,14-18H,10-13,19H2,1H3,(H,33,37)(H,34,35);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37) |
| InChIKey | OFZZFRGTBHDUMA-UHFFFAOYSA-N |
| XLogP | 30.18 |
| TPSA | 515.60 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2671.87 |
| LogP ≤ 5 | 30.18 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 32 |