C112H98Cl5N31O6 — CID 159453832
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclobutyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopentyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 159453832) has the molecular formula C112H98Cl5N31O6 and a molecular weight of 2151.49 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclobutyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopentyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclobutyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopentyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide |
|---|---|
| PubChem CID | 159453832 |
| Molecular Formula | C112H98Cl5N31O6 |
| Molecular Weight | 2151.49 g/mol |
| Exact Mass | 2147.68 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclobutyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopentyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclopropyl-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide |
| SMILES | Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CNC(=O)C1 |
| InChI | InChI=1S/C24H23ClN6O.C23H21ClN6O.C22H18ClN7O2.C22H19ClN6O.C21H17ClN6O/c25-18-12-15(11-16-13-27-31-19(16)18)21-20(14-7-3-1-4-8-14)30-23(26)22(29-21)24(32)28-17-9-5-2-6-10-17;24-17-11-14(10-15-12-26-30-18(15)17)20-19(13-6-2-1-3-7-13)29-22(25)21(28-20)23(31)27-16-8-4-5-9-16;23-15-7-12(6-13-9-26-30-17(13)15)19-18(11-4-2-1-3-5-11)29-21(24)20(28-19)22(32)27-14-8-16(31)25-10-14;23-16-10-13(9-14-11-25-29-17(14)16)19-18(12-5-2-1-3-6-12)28-21(24)20(27-19)22(30)26-15-7-4-8-15;22-15-9-12(8-13-10-24-28-16(13)15)18-17(11-4-2-1-3-5-11)27-20(23)19(26-18)21(29)25-14-6-7-14/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)(H,28,32);1-3,6-7,10-12,16H,4-5,8-9H2,(H2,25,29)(H,26,30)(H,27,31);1-7,9,14H,8,10H2,(H2,24,29)(H,25,31)(H,26,30)(H,27,32);1-3,5-6,9-11,15H,4,7-8H2,(H2,24,28)(H,25,29)(H,26,30);1-5,8-10,14H,6-7H2,(H2,23,27)(H,24,28)(H,25,29) |
| InChIKey | LTSDDGRWSCPIPJ-UHFFFAOYSA-N |
| XLogP | 20.14 |
| TPSA | 577.00 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2151.49 |
| LogP ≤ 5 | 20.14 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 26 |