C134H125Cl6N33O7 — CID 158970503
3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine (PubChem CID 158970503) has the molecular formula C134H125Cl6N33O7 and a molecular weight of 2522.42 g/mol. Its IUPAC name is 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine.
| Compound Name | 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine |
|---|---|
| PubChem CID | 158970503 |
| Molecular Formula | C134H125Cl6N33O7 |
| Molecular Weight | 2522.42 g/mol |
| Exact Mass | 2517.86 |
| IUPAC Name | 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine |
| SMILES | CN1CC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCCC1 |
| InChI | InChI=1S/C23H23ClN6O.C23H20ClN5O2.C23H22ClN5O.C22H21ClN6O.C22H20ClN5O.C21H19ClN6O/c1-30-9-7-17(8-10-30)31-23-22(25)27-20(14-5-3-2-4-6-14)21(28-23)15-11-16-13-26-29-19(16)18(24)12-15;24-18-10-14(9-15-12-26-29-19(15)18)21-20(13-5-2-1-3-6-13)27-22(25)23(28-21)31-17-8-4-7-16(30)11-17;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-11-14(10-15-12-25-28-18(15)17)20-19(13-6-2-1-3-7-13)26-21(24)22(27-20)29-16-8-4-5-9-16;1-28-10-15(11-28)29-21-20(23)25-18(12-5-3-2-4-6-12)19(26-21)13-7-14-9-24-27-17(14)16(22)8-13/h2-6,11-13,17H,7-10H2,1H3,(H2,25,27)(H,26,29);1-3,5-6,9-10,12,17H,4,7-8,11H2,(H2,25,27)(H,26,29);1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29);2-6,9-11,16H,7-8,12H2,1H3,(H2,24,26)(H,25,28);1-3,6-7,10-12,16H,4-5,8-9H2,(H2,24,26)(H,25,28);2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,27) |
| InChIKey | JNTGCUQNRIYVGS-UHFFFAOYSA-N |
| XLogP | 27.71 |
| TPSA | 565.05 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2522.42 |
| LogP ≤ 5 | 27.71 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |