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

C78H101Cl5N24O7 — CID 159350096

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

(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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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 (PubChem CID 159350096) has the molecular formula C78H101Cl5N24O7 and a molecular weight of 1664.09 g/mol. Its IUPAC name is (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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.

Molecular Properties

• Compound Name: (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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
• PubChem CID: 159350096
• Molecular Formula: C78H101Cl5N24O7
• Molecular Weight: 1664.09 g/mol
• Exact Mass: 1660.67
• IUPAC Name: (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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
• SMILES: CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.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)cc2N)CC1
• InChI: InChI=1S/C26H34Cl2N8O3.C26H34Cl2N8O2.C26H33ClN8O2/c1-2-18-13-35(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;1-3-19-14-35(25-23(28)30-22(24(29)31-25)26-33-32-16(2)38-26)12-13-36(19)20-8-10-34(11-9-20)21(15-37)17-4-6-18(27)7-5-17;1-4-19-15-34(24-16(2)30-23(14-29-24)25-32-31-17(3)37-25)11-12-35(19)20-7-9-33(10-8-20)26(36)21-6-5-18(27)13-22(21)28/h3-6,18-20,37-38H,2,7-15H2,1H3,(H2,29,31);4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);5-6,13-14,19-20H,4,7-12,15,28H2,1-3H3/t18-,20-;19-,21-;19-/m000/s1
• InChIKey: LHFGMFASEXAGCK-WXKHLGLOSA-N
• XLogP: 10.41
• TPSA: 379.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.09
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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?

The IUPAC name of (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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 (CID 159350096) is (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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.

What is the SMILES notation for (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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?

The canonical SMILES for (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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 is CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.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)cc2N)CC1.

What is the InChIKey of (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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?

The InChIKey is LHFGMFASEXAGCK-WXKHLGLOSA-N. The full InChI is InChI=1S/C26H34Cl2N8O3.C26H34Cl2N8O2.C26H33ClN8O2/c1-2-18-13-35(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;1-3-19-14-35(25-23(28)30-22(24(29)31-25)26-33-32-16(2)38-26)12-13-36(19)20-8-10-34(11-9-20)21(15-37)17-4-6-18(27)7-5-17;1-4-19-15-34(24-16(2)30-23(14-29-24)25-32-31-17(3)37-25)11-12-35(19)20-7-9-33(10-8-20)26(36)21-6-5-18(27)13-22(21)28/h3-6,18-20,37-38H,2,7-15H2,1H3,(H2,29,31);4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);5-6,13-14,19-20H,4,7-12,15,28H2,1-3H3/t18-,20-;19-,21-;19-/m000/s1.

What are the key properties of (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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?

(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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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 has a molecular weight of 1664.09 g/mol, XLogP of 10.41, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(2R)-2-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;(2-amino-4-chlorophenyl)-[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 is sourced from PubChem (CID 159350096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).