C114H129N25O5 — CID 157156178
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide;N-[3-(piperidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157156178) has the molecular formula C114H129N25O5 and a molecular weight of 1929.46 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide;N-[3-(piperidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide;N-[3-(piperidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157156178 |
| Molecular Formula | C114H129N25O5 |
| Molecular Weight | 1929.46 g/mol |
| Exact Mass | 1928.06 |
| IUPAC Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide;N-[3-(piperidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCOCC5)cc4)c3c2)c1.O=C(Nc1cccc(CN2CCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1cccc(CN2CCCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12 |
| InChI | InChI=1S/C30H34N6O.C29H32N6O.C28H33N7O.C27H30N6O2/c37-30(32-26-8-6-7-22(16-26)20-35-11-2-1-3-12-35)29-27-17-24(9-10-28(27)33-34-29)25-15-23(18-31-19-25)21-36-13-4-5-14-36;36-29(31-25-7-5-6-21(15-25)19-34-10-1-2-11-34)28-26-16-23(8-9-27(26)32-33-28)24-14-22(17-30-18-24)20-35-12-3-4-13-35;1-33(2)18-21-14-23(17-29-16-21)22-6-9-26-25(15-22)27(32-31-26)28(36)30-24-7-4-20(5-8-24)19-35-12-10-34(3)11-13-35;1-32(2)17-20-13-22(16-28-15-20)21-5-8-25-24(14-21)26(31-30-25)27(34)29-23-6-3-19(4-7-23)18-33-9-11-35-12-10-33/h6-10,15-19H,1-5,11-14,20-21H2,(H,32,37)(H,33,34);5-9,14-18H,1-4,10-13,19-20H2,(H,31,36)(H,32,33);4-9,14-17H,10-13,18-19H2,1-3H3,(H,30,36)(H,31,32);3-8,13-16H,9-12,17-18H2,1-2H3,(H,29,34)(H,30,31) |
| InChIKey | ALVHLOMHYZAMFC-UHFFFAOYSA-N |
| XLogP | 17.98 |
| TPSA | 321.07 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1929.46 |
| LogP ≤ 5 | 17.98 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |