C133H186N34O6 — CID 159722934
3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole;3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole;ethane;5-(1-methylcyclopropyl)oxy-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazole;3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole (PubChem CID 159722934) has the molecular formula C133H186N34O6 and a molecular weight of 2357.18 g/mol. Its IUPAC name is 3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole;3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole;ethane;5-(1-methylcyclopropyl)oxy-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazole;3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole.
| Compound Name | 3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole;3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole;ethane;5-(1-methylcyclopropyl)oxy-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazole;3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole |
|---|---|
| PubChem CID | 159722934 |
| Molecular Formula | C133H186N34O6 |
| Molecular Weight | 2357.18 g/mol |
| Exact Mass | 2355.53 |
| IUPAC Name | 3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole;3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole;ethane;5-(1-methylcyclopropyl)oxy-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazole;3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole |
| SMILES | CC.CC.CC.CC.CC.CC.CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN[C@@H](C)C4)ncn3)c2c1.CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)N[C@@H](C)C4)ncn3)c2c1.CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN[C@@H](C)C4)c3)c2c1.C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)N1.C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1.C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCN1 |
| InChI | InChI=1S/C21H26N6O.C21H25N5O.C20H24N6O.C20H26N6O.C20H25N5O.C19H24N6O.6C2H6/c1-13-10-27(11-14(2)24-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)25-26-20;1-14-13-26(10-9-22-14)19-11-15(5-8-23-19)20-17-12-16(27-21(2)6-7-21)3-4-18(17)24-25-20;1-13-11-26(8-7-21-13)18-10-17(22-12-23-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)24-25-19;1-12(2)27-15-5-6-17-16(7-15)20(25-24-17)18-8-19(22-11-21-18)26-9-13(3)23-14(4)10-26;1-13(2)26-16-4-5-18-17(11-16)20(24-23-18)15-6-7-22-19(10-15)25-9-8-21-14(3)12-25;1-12(2)26-14-4-5-16-15(8-14)19(24-23-16)17-9-18(22-11-21-17)25-7-6-20-13(3)10-25;6*1-2/h4-5,8-9,12-14,24H,6-7,10-11H2,1-3H3,(H,25,26);3-5,8,11-12,14,22H,6-7,9-10,13H2,1-2H3,(H,24,25);3-4,9-10,12-13,21H,5-8,11H2,1-2H3,(H,24,25);5-8,11-14,23H,9-10H2,1-4H3,(H,24,25);4-7,10-11,13-14,21H,8-9,12H2,1-3H3,(H,23,24);4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,23,24);6*1-2H3/t13-,14+;14-;13-;13-,14+;14-;13-;;;;;;/m.00.00....../s1 |
| InChIKey | NAGPCEVTQDDRCS-LKDSKCDOSA-N |
| XLogP | 24.21 |
| TPSA | 447.98 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2357.18 |
| LogP ≤ 5 | 24.21 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |