C115H98Cl5FN32O8 — CID 157293811
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide (PubChem CID 157293811) has the molecular formula C115H98Cl5FN32O8 and a molecular weight of 2252.53 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide.
| Compound Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide |
|---|---|
| PubChem CID | 157293811 |
| Molecular Formula | C115H98Cl5FN32O8 |
| Molecular Weight | 2252.53 g/mol |
| Exact Mass | 2248.67 |
| IUPAC Name | N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide |
| SMILES | CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCOCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1COC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C24H16ClFN6O.C24H22ClN7O2.C23H22ClN7O.C23H21ClN6O2.C21H17ClN6O2/c25-18-11-15(10-16-12-28-32-19(16)18)21-20(13-4-2-1-3-5-13)29-22(27)23(30-21)31-24(33)14-6-8-17(26)9-7-14;1-32-8-7-14(11-18(32)33)24(34)30-23-22(26)28-20(13-5-3-2-4-6-13)21(29-23)15-9-16-12-27-31-19(16)17(25)10-15;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;24-17-11-15(10-16-12-26-30-18(16)17)20-19(13-4-2-1-3-5-13)27-21(25)22(28-20)29-23(31)14-6-8-32-9-7-14;22-15-7-12(6-13-8-24-28-16(13)15)18-17(11-4-2-1-3-5-11)25-19(23)20(26-18)27-21(29)14-9-30-10-14/h1-12H,(H2,27,29)(H,28,32)(H,30,31,33);2-6,9-10,12,14H,7-8,11H2,1H3,(H2,26,28)(H,27,31)(H,29,30,34);2-6,9-11,14H,7-8,12H2,1H3,(H2,25,27)(H,26,30)(H,28,29,32);1-5,10-12,14H,6-9H2,(H2,25,27)(H,26,30)(H,28,29,31);1-8,14H,9-10H2,(H2,23,25)(H,24,28)(H,26,27,29) |
| InChIKey | BBCKGPFGCAAIRB-UHFFFAOYSA-N |
| XLogP | 20.65 |
| TPSA | 589.91 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2252.53 |
| LogP ≤ 5 | 20.65 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 29 |