C116H105Cl5N32O6 — CID 158703479
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopentylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopropylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[2-(diethylamino)ethyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(3-hydroxycyclobutyl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 158703479) has the molecular formula C116H105Cl5N32O6 and a molecular weight of 2220.60 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopentylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopropylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[2-(diethylamino)ethyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(3-hydroxycyclobutyl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-N-pyridin-3-ylpyrazine-2-carboxamide.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopentylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopropylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[2-(diethylamino)ethyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(3-hydroxycyclobutyl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-N-pyridin-3-ylpyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158703479 |
| Molecular Formula | C116H105Cl5N32O6 |
| Molecular Weight | 2220.60 g/mol |
| Exact Mass | 2216.73 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopentylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(cyclopropylmethyl)-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[2-(diethylamino)ethyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(3-hydroxycyclobutyl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-N-pyridin-3-ylpyrazine-2-carboxamide |
| SMILES | CCN(CC)CCNC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CC(O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Nc1cccnc1 |
| InChI | InChI=1S/C24H26ClN7O.C24H23ClN6O.C23H16ClN7O.C23H21ClN6O2.C22H19ClN6O/c1-3-32(4-2)11-10-27-24(33)22-23(26)30-20(15-8-6-5-7-9-15)21(29-22)16-12-17-14-28-31-19(17)18(25)13-16;25-18-11-16(10-17-13-28-31-19(17)18)21-20(15-8-2-1-3-9-15)30-23(26)22(29-21)24(32)27-12-14-6-4-5-7-14;24-17-10-14(9-15-11-27-31-18(15)17)20-19(13-5-2-1-3-6-13)30-22(25)21(29-20)23(32)28-16-7-4-8-26-12-16;24-17-9-14(8-15-11-27-30-18(15)17)20-19(13-4-2-1-3-5-13)29-22(25)21(28-20)23(32)26-10-12-6-16(31)7-12;23-16-9-14(8-15-11-26-29-17(15)16)19-18(13-4-2-1-3-5-13)28-21(24)20(27-19)22(30)25-10-12-6-7-12/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31);1-3,8-11,13-14H,4-7,12H2,(H2,26,30)(H,27,32)(H,28,31);1-12H,(H2,25,30)(H,27,31)(H,28,32);1-5,8-9,11-12,16,31H,6-7,10H2,(H2,25,29)(H,26,32)(H,27,30);1-5,8-9,11-12H,6-7,10H2,(H2,24,28)(H,25,30)(H,26,29) |
| InChIKey | IHVHWDJFFQKAKV-UHFFFAOYSA-N |
| XLogP | 20.89 |
| TPSA | 584.26 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2220.60 |
| LogP ≤ 5 | 20.89 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 28 |