[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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone

C108H138Cl6N32O8 — CID 160571566

About [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 160571566) has the molecular formula C108H138Cl6N32O8 and a molecular weight of 2225.23 g/mol. Its IUPAC name is [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 160571566
• Molecular Formula: C108H138Cl6N32O8
• Molecular Weight: 2225.23 g/mol
• Exact Mass: 2220.95
• IUPAC Name: [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCCc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(Cl)n2)o1.CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)nc2N)o1.CC[C@H]1CN(c2ncc(-c3nnc(N)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C28H35Cl2N7O2.C28H37ClN8O2.C26H33Cl2N9O2.C26H33ClN8O2/c1-4-6-24-33-34-27(39-24)23-15-31-26(25(30)32-23)36-17-21(5-2)37(16-18(36)3)22-11-13-35(14-12-22)28(38)19-7-9-20(29)10-8-19;1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20;1-3-18-15-36(23-21(28)31-20(22(29)32-23)24-33-34-26(39-24)30-4-2)13-14-37(18)19-9-11-35(12-10-19)25(38)16-5-7-17(27)8-6-16;1-4-20-15-34(23-17(3)30-22(13-29-23)24-31-32-26(28)37-24)16(2)14-35(20)21-9-11-33(12-10-21)25(36)18-5-7-19(27)8-6-18/h7-10,15,18,21-22H,4-6,11-14,16-17H2,1-3H3;7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34);5-8,18-19H,3-4,9-15H2,1-2H3,(H2,29,32)(H,30,34);5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,28,32)/t18-,21+;18-,22+;18-;16-,20+/m1101/s1
• InChIKey: RAPRATQTHSMTGA-AQUQDQKXSA-N
• XLogP: 17.61
• TPSA: 442.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.23
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (CID 160571566) is [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is CCCc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(Cl)n2)o1.CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)nc2N)o1.CC[C@H]1CN(c2ncc(-c3nnc(N)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1.

What is the InChIKey of [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is RAPRATQTHSMTGA-AQUQDQKXSA-N. The full InChI is InChI=1S/C28H35Cl2N7O2.C28H37ClN8O2.C26H33Cl2N9O2.C26H33ClN8O2/c1-4-6-24-33-34-27(39-24)23-15-31-26(25(30)32-23)36-17-21(5-2)37(16-18(36)3)22-11-13-35(14-12-22)28(38)19-7-9-20(29)10-8-19;1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20;1-3-18-15-36(23-21(28)31-20(22(29)32-23)24-33-34-26(39-24)30-4-2)13-14-37(18)19-9-11-35(12-10-19)25(38)16-5-7-17(27)8-6-16;1-4-20-15-34(23-17(3)30-22(13-29-23)24-31-32-26(28)37-24)16(2)14-35(20)21-9-11-33(12-10-21)25(36)18-5-7-19(27)8-6-18/h7-10,15,18,21-22H,4-6,11-14,16-17H2,1-3H3;7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34);5-8,18-19H,3-4,9-15H2,1-2H3,(H2,29,32)(H,30,34);5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,28,32)/t18-,21+;18-,22+;18-;16-,20+/m1101/s1.

What are the key properties of [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2225.23 g/mol, XLogP of 17.61, 26 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [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]-(4-chlorophenyl)methanone;[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;(4-chlorophenyl)-[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;(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 160571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).