C98H100F2N20O13 — CID 158095275
bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide (PubChem CID 158095275) has the molecular formula C98H100F2N20O13 and a molecular weight of 1804.00 g/mol. Its IUPAC name is bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide.
| Compound Name | bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158095275 |
| Molecular Formula | C98H100F2N20O13 |
| Molecular Weight | 1804.00 g/mol |
| Exact Mass | 1802.77 |
| IUPAC Name | bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide |
| SMILES | Cn1nc(C(=O)CC23CC(F)(C2)C3)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1 |
| InChI | InChI=1S/C21H19FN4O2.C20H21FN4O3.C19H20N4O4.2C19H20N4O2/c1-26-16-8-13(24-19(28)15-4-2-3-7-23-15)5-6-14(16)18(25-26)17(27)9-20-10-21(22,11-20)12-20;1-25-18-10-15(23-19(26)17-5-2-14(21)11-22-17)3-4-16(18)20(24-25)28-12-13-6-8-27-9-7-13;1-23-17-10-13(21-18(24)16-4-2-3-7-20-16)5-6-15(17)19(22-23)27-12-14-11-25-8-9-26-14;2*24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h2-8H,9-12H2,1H3,(H,24,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,26);2-7,10,14H,8-9,11-12H2,1H3,(H,21,24);2*3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;14-;;/m..0../s1 |
| InChIKey | FOOZIRODNCQHJY-GLAWKEQLSA-N |
| XLogP | 16.42 |
| TPSA | 402.45 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1804.00 |
| LogP ≤ 5 | 16.42 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |