C115H95Cl5FN33O7 — CID 158094222
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(oxetan-3-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 158094222) has the molecular formula C115H95Cl5FN33O7 and a molecular weight of 2247.51 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(oxetan-3-yl)-5-phenylpyrazine-2-carboxamide.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(oxetan-3-yl)-5-phenylpyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158094222 |
| Molecular Formula | C115H95Cl5FN33O7 |
| Molecular Weight | 2247.51 g/mol |
| Exact Mass | 2243.65 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(oxetan-3-yl)-5-phenylpyrazine-2-carboxamide |
| SMILES | CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1=O.Cn1ccc(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1COC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Nc1ccc(F)cc1 |
| InChI | InChI=1S/C24H16ClFN6O.C24H22ClN7O2.C23H22ClN7O.C23H18ClN7O.C21H17ClN6O2/c25-18-11-14(10-15-12-28-32-19(15)18)21-20(13-4-2-1-3-5-13)31-23(27)22(30-21)24(33)29-17-8-6-16(26)7-9-17;1-32-8-7-16(11-18(32)33)28-24(34)22-23(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-12-27-31-19(15)17(25)10-14;2*1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14;22-15-7-12(6-13-8-24-28-16(13)15)18-17(11-4-2-1-3-5-11)27-20(23)19(26-18)21(29)25-14-9-30-10-14/h1-12H,(H2,27,31)(H,28,32)(H,29,33);2-6,9-10,12,16H,7-8,11H2,1H3,(H2,26,30)(H,27,31)(H,28,34);2-6,9-11,16H,7-8,12H2,1H3,(H2,25,29)(H,26,30)(H,27,32);2-12H,1H3,(H2,25,29)(H,26,30)(H,27,32);1-8,14H,9-10H2,(H2,23,27)(H,24,28)(H,25,29) |
| InChIKey | FOMAWSDPBABGKQ-UHFFFAOYSA-N |
| XLogP | 19.51 |
| TPSA | 585.61 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2247.51 |
| LogP ≤ 5 | 19.51 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 29 |