C115H100Cl5N33O6 — CID 158842223
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(3-hydroxycyclobutyl)acetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 158842223) has the molecular formula C115H100Cl5N33O6 and a molecular weight of 2217.55 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(3-hydroxycyclobutyl)acetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]pyridine-3-carboxamide.
| Compound Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(3-hydroxycyclobutyl)acetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158842223 |
| Molecular Formula | C115H100Cl5N33O6 |
| Molecular Weight | 2217.55 g/mol |
| Exact Mass | 2213.70 |
| IUPAC Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(3-hydroxycyclobutyl)acetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]pyridine-3-carboxamide |
| SMILES | CCN(CC)CCC(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)CC1CC(O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)CC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)c1cccnc1 |
| InChI | InChI=1S/C24H26ClN7O.C23H18ClN7O.C23H16ClN7O.C23H21ClN6O2.C22H19ClN6O/c1-3-32(4-2)11-10-19(33)28-24-23(26)29-21(15-8-6-5-7-9-15)22(30-24)16-12-17-14-27-31-20(17)18(25)13-16;1-31-8-7-14(12-31)23(32)29-22-21(25)27-19(13-5-3-2-4-6-13)20(28-22)15-9-16-11-26-30-18(16)17(24)10-15;24-17-10-15(9-16-12-27-31-18(16)17)20-19(13-5-2-1-3-6-13)28-21(25)22(29-20)30-23(32)14-7-4-8-26-11-14;24-17-10-14(9-15-11-26-30-19(15)17)21-20(13-4-2-1-3-5-13)28-22(25)23(29-21)27-18(32)8-12-6-16(31)7-12;23-16-10-14(9-15-11-25-29-18(15)16)20-19(13-4-2-1-3-5-13)27-21(24)22(28-20)26-17(30)8-12-6-7-12/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,26,29)(H,27,31)(H,28,30,33);2-12H,1H3,(H2,25,27)(H,26,30)(H,28,29,32);1-12H,(H2,25,28)(H,27,31)(H,29,30,32);1-5,9-12,16,31H,6-8H2,(H2,25,28)(H,26,30)(H,27,29,32);1-5,9-12H,6-8H2,(H2,24,27)(H,25,29)(H,26,28,30) |
| InChIKey | IYJQKZSOFLFLMC-UHFFFAOYSA-N |
| XLogP | 22.36 |
| TPSA | 589.19 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2217.55 |
| LogP ≤ 5 | 22.36 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 29 |