C97H102F4N24O9 — CID 167532670
6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide;6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;7-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;6-fluoro-5-(1-methylpyrazol-4-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide (PubChem CID 167532670) has the molecular formula C97H102F4N24O9 and a molecular weight of 1824.03 g/mol. Its IUPAC name is 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide;6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;7-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;6-fluoro-5-(1-methylpyrazol-4-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide;6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;7-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;6-fluoro-5-(1-methylpyrazol-4-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 167532670 |
| Molecular Formula | C97H102F4N24O9 |
| Molecular Weight | 1824.03 g/mol |
| Exact Mass | 1822.82 |
| IUPAC Name | 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide;6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;7-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;6-fluoro-5-(1-methylpyrazol-4-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCC(Oc2ccc(NC(=O)c3[nH]nc4c(F)cc(-c5cnn(C)c5)cc34)cc2)CC1.CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cn(C)nc5CO)cc34)cc2)CC1.CN1CCC(Oc2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.Cn1cc(-c2cc3c(C(=O)Nc4cccc(OCCN5CCCC5)c4)n[nH]c3cc2F)cn1 |
| InChI | InChI=1S/C25H27FN6O3.3C24H25FN6O2/c1-31-9-7-17(8-10-31)35-16-5-3-15(4-6-16)27-25(34)24-19-11-18(21(26)12-22(19)28-29-24)20-13-32(2)30-23(20)14-33;1-30-9-7-19(8-10-30)33-18-5-3-17(4-6-18)27-24(32)23-20-11-15(16-13-26-31(2)14-16)12-21(25)22(20)28-29-23;1-30-8-6-17(7-9-30)33-18-5-3-4-16(10-18)27-24(32)23-20-11-19(15-13-26-31(2)14-15)21(25)12-22(20)28-29-23;1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-5-4-6-18(11-17)33-10-9-31-7-2-3-8-31/h3-6,11-13,17,33H,7-10,14H2,1-2H3,(H,27,34)(H,28,29);3-6,11-14,19H,7-10H2,1-2H3,(H,27,32)(H,28,29);3-5,10-14,17H,6-9H2,1-2H3,(H,27,32)(H,28,29);4-6,11-15H,2-3,7-10H2,1H3,(H,27,32)(H,28,29) |
| InChIKey | AELHHYRHFSDBHE-UHFFFAOYSA-N |
| XLogP | 14.81 |
| TPSA | 372.51 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1824.03 |
| LogP ≤ 5 | 14.81 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |