C122H108F6N22O10 — CID 161337443
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-indole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide (PubChem CID 161337443) has the molecular formula C122H108F6N22O10 and a molecular weight of 2156.34 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-indole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-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-indole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide |
|---|---|
| PubChem CID | 161337443 |
| Molecular Formula | C122H108F6N22O10 |
| Molecular Weight | 2156.34 g/mol |
| Exact Mass | 2154.85 |
| 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-indole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide |
| SMILES | Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccc(-c5cncc(CN6CCOCC6)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/C32H31N5O3.C31H29N5O3.C30H25F3N6O2.C29H23F3N6O2/c1-21-2-6-27(7-3-21)40-31-9-5-25(18-35-31)36-32(39)29-19-34-30-8-4-23(15-28(29)30)24-14-22(16-33-17-24)20-37-12-10-26(38)11-13-37;1-21-2-6-26(7-3-21)39-30-9-5-25(18-34-30)35-31(37)28-19-33-29-8-4-23(15-27(28)29)24-14-22(16-32-17-24)20-36-10-12-38-13-11-36;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;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/h2-9,14-19,26,34,38H,10-13,20H2,1H3,(H,36,39);2-9,14-19,33H,10-13,20H2,1H3,(H,35,37);1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37) |
| InChIKey | VMFLQBQPLMLJSO-UHFFFAOYSA-N |
| XLogP | 24.22 |
| TPSA | 387.80 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2156.34 |
| LogP ≤ 5 | 24.22 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |