C112H101Cl5N30O5 — CID 159592776
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 159592776) has the molecular formula C112H101Cl5N30O5 and a molecular weight of 2124.51 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide.
| Compound Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide |
|---|---|
| PubChem CID | 159592776 |
| Molecular Formula | C112H101Cl5N30O5 |
| Molecular Weight | 2124.51 g/mol |
| Exact Mass | 2120.70 |
| IUPAC Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide |
| SMILES | CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCCCC1 |
| InChI | InChI=1S/C24H23ClN6O.C23H21ClN6O.C22H19ClN6O.C22H21ClN6O.C21H17ClN6O/c25-18-12-16(11-17-13-27-31-19(17)18)21-20(14-7-3-1-4-8-14)28-22(26)23(29-21)30-24(32)15-9-5-2-6-10-15;24-17-11-15(10-16-12-26-30-18(16)17)20-19(13-6-2-1-3-7-13)27-21(25)22(28-20)29-23(31)14-8-4-5-9-14;23-16-10-14(9-15-11-25-29-17(15)16)19-18(12-5-2-1-3-6-12)26-20(24)21(27-19)28-22(30)13-7-4-8-13;1-22(2,3)21(30)28-20-19(24)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-29-16(14)15(23)10-13;22-15-9-13(8-14-10-24-28-16(14)15)18-17(11-4-2-1-3-5-11)25-19(23)20(26-18)27-21(29)12-6-7-12/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,26,28)(H,27,31)(H,29,30,32);1-3,6-7,10-12,14H,4-5,8-9H2,(H2,25,27)(H,26,30)(H,28,29,31);1-3,5-6,9-11,13H,4,7-8H2,(H2,24,26)(H,25,29)(H,27,28,30);4-11H,1-3H3,(H2,24,26)(H,25,29)(H,27,28,30);1-5,8-10,12H,6-7H2,(H2,23,25)(H,24,28)(H,26,27,29) |
| InChIKey | MKLIKPYTFCAUFW-UHFFFAOYSA-N |
| XLogP | 24.33 |
| TPSA | 547.90 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2124.51 |
| LogP ≤ 5 | 24.33 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 25 |