[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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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

C105H136Cl6N34O9 — CID 158553542

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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 158553542) has the molecular formula C105H136Cl6N34O9 and a molecular weight of 2231.19 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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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: 158553542
• Molecular Formula: C105H136Cl6N34O9
• Molecular Weight: 2231.19 g/mol
• Exact Mass: 2226.94
• 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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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: 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(c2nc(N)c(-c3nnc(CO)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C28H37ClN8O2.C26H33Cl2N9O2.C26H34Cl2N8O3.C25H32ClN9O2/c1-5-22-17-36(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;1-2-18-13-35(25-23(28)30-22(24(29)31-25)26-33-32-21(15-38)39-26)11-12-36(18)19-7-9-34(10-8-19)20(14-37)16-3-5-17(27)6-4-16;1-4-17-14-34(23-15(2)29-20(13-28-23)24-32-31-16(3)37-24)11-12-35(17)18-7-9-33(10-8-18)25(36)19-5-6-21(26)30-22(19)27/h7-10,15,18,22-23H,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);3-6,18-20,37-38H,2,7-15H2,1H3,(H2,29,31);5-6,13,17-18H,4,7-12,14H2,1-3H3,(H2,27,30)/t18-,22+;18-;18-,20-;17-/m1000/s1
• InChIKey: HPZVEFGGRXELBA-QTZJGGRTSA-N
• XLogP: 14.55
• TPSA: 504.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.19
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 158553542) 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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 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(c2nc(N)c(-c3nnc(CO)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 HPZVEFGGRXELBA-QTZJGGRTSA-N. The full InChI is InChI=1S/C28H37ClN8O2.C26H33Cl2N9O2.C26H34Cl2N8O3.C25H32ClN9O2/c1-5-22-17-36(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;1-2-18-13-35(25-23(28)30-22(24(29)31-25)26-33-32-21(15-38)39-26)11-12-36(18)19-7-9-34(10-8-19)20(14-37)16-3-5-17(27)6-4-16;1-4-17-14-34(23-15(2)29-20(13-28-23)24-32-31-16(3)37-24)11-12-35(17)18-7-9-33(10-8-18)25(36)19-5-6-21(26)30-22(19)27/h7-10,15,18,22-23H,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);3-6,18-20,37-38H,2,7-15H2,1H3,(H2,29,31);5-6,13,17-18H,4,7-12,14H2,1-3H3,(H2,27,30)/t18-,22+;18-;18-,20-;17-/m1000/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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 2231.19 g/mol, XLogP of 14.55, 27 rotatable bonds, 7 hydrogen bond donors, and 40 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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-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 158553542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).