C88H90N28O5 — CID 157468504
5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157468504) has the molecular formula C88H90N28O5 and a molecular weight of 1619.88 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157468504 |
| Molecular Formula | C88H90N28O5 |
| Molecular Weight | 1619.88 g/mol |
| Exact Mass | 1618.76 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CCOCC.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C23H23N7O.C22H21N7O.C21H21N7O.C18H15N7O.C4H10O/c1-15-25-12-18(13-26-15)27-23(31)22-20-10-16(5-6-21(20)28-29-22)17-9-19(14-24-11-17)30-7-3-2-4-8-30;1-14-24-11-17(12-25-14)26-22(30)21-19-9-15(4-5-20(19)27-28-21)16-8-18(13-23-10-16)29-6-2-3-7-29;1-13-23-10-17(11-24-13)25-21(29)20-18-7-15(4-5-19(18)26-27-20)16-6-14(8-22-9-16)12-28(2)3;1-10-21-8-14(9-22-10)23-18(26)17-15-5-11(2-3-16(15)24-25-17)12-4-13(19)7-20-6-12;1-3-5-4-2/h5-6,9-14H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7H2,1H3,(H,26,30)(H,27,28);4-11H,12H2,1-3H3,(H,25,29)(H,26,27);2-9H,19H2,1H3,(H,23,26)(H,24,25);3-4H2,1-2H3 |
| InChIKey | BUTDNJZEZSJPSO-UHFFFAOYSA-N |
| XLogP | 14.18 |
| TPSA | 430.77 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 121 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1619.88 |
| LogP ≤ 5 | 14.18 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |