About [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
[4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 157294028) has the molecular formula C128H170Cl9N51O8S
and a molecular weight of 2902.26 g/mol. Its IUPAC name is [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 157294028) is [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CCCc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(Cl)n2)o1.CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)s1.CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1.CCNc1nnc(-c2nc(Cl)c(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)nc2N)o1.CC[C@H]1CN(c2nc(N)c(C3=NCCN3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.
What is the InChIKey of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BBDAQTVSOWYYKT-XEIVPQLLSA-N. The full InChI is InChI=1S/C27H35Cl2N9O2.C26H35Cl2N11O2.C26H35ClN10OS.C25H33Cl2N11O2.C24H32Cl2N10O/c1-4-6-22-34-35-26(40-22)20-13-31-25(23(29)32-20)37-15-17(5-2)38(14-16(37)3)18-9-11-36(12-10-18)27(39)19-7-8-21(28)33-24(19)30;1-4-15-13-38(23-20(28)33-19(22(30)34-23)24-35-36-26(41-24)31-5-2)14(3)12-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29;1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28;1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28;1-2-14-13-35(23-19(26)32-18(21(28)33-23)22-29-7-8-30-22)11-12-36(14)15-5-9-34(10-6-15)24(37)16-3-4-17(25)31-20(16)27/h7-8,13,16-18H,4-6,9-12,14-15H2,1-3H3,(H2,30,33);6-7,14-16H,4-5,8-13H2,1-3H3,(H2,29,32)(H2,30,34)(H,31,36);6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34);5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35);3-4,14-15H,2,5-13H2,1H3,(H2,27,31)(H2,28,33)(H,29,30)/t16-,17+;14-,15+;17-;2*14-/m11000/s1.
What are the key properties of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
[4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2902.26 g/mol, XLogP of 16.27, 33 rotatable bonds, 12 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-(5-propyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 157294028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).