C100H109F2N27O5 — CID 157154090
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane (PubChem CID 157154090) has the molecular formula C100H109F2N27O5 and a molecular weight of 1807.15 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane |
|---|---|
| PubChem CID | 157154090 |
| Molecular Formula | C100H109F2N27O5 |
| Molecular Weight | 1807.15 g/mol |
| Exact Mass | 1805.91 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane |
| SMILES | CCOCC.CN(C)c1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H28F2N6O.C25H27N7O.C24H25N7O.C20H19N7O.C4H10O/c1-34(2)25-6-4-21(15-32-25)33-26(36)23-16-31-24-5-3-19(12-22(23)24)20-11-18(13-30-14-20)17-35-9-7-27(28,29)8-10-35;1-31(2)23-9-7-19(15-27-23)28-25(33)24-21-13-17(6-8-22(21)29-30-24)18-12-20(16-26-14-18)32-10-4-3-5-11-32;1-30(2)22-8-6-18(14-26-22)27-24(32)23-20-12-16(5-7-21(20)28-29-23)17-11-19(15-25-13-17)31-9-3-4-10-31;1-27(2)18-6-4-15(11-23-18)24-20(28)19-16-8-12(3-5-17(16)25-26-19)13-7-14(21)10-22-9-13;1-3-5-4-2/h3-6,11-16,31H,7-10,17H2,1-2H3,(H,33,36);6-9,12-16H,3-5,10-11H2,1-2H3,(H,28,33)(H,29,30);5-8,11-15H,3-4,9-10H2,1-2H3,(H,27,32)(H,28,29);3-11H,21H2,1-2H3,(H,24,28)(H,25,26);3-4H2,1-2H3 |
| InChIKey | ALPIRMMMFRMEKZ-UHFFFAOYSA-N |
| XLogP | 17.40 |
| TPSA | 379.28 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1807.15 |
| LogP ≤ 5 | 17.40 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |