(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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate

C79H103Cl7N24O7 — CID 157143869

About (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate

(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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate (PubChem CID 157143869) has the molecular formula C79H103Cl7N24O7 and a molecular weight of 1749.02 g/mol. Its IUPAC name is (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate.

Molecular Properties

• Compound Name: (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate
• PubChem CID: 157143869
• Molecular Formula: C79H103Cl7N24O7
• Molecular Weight: 1749.02 g/mol
• Exact Mass: 1744.63
• IUPAC Name: (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate
• 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(C)o3)nc2Cl)CCN1C1CCN([C@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCNCC1.COC(=O)C(Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/2C26H34Cl2N8O2.C18H27ClN8O.C9H8Cl2O2/c2*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;1-3-12-10-26(8-9-27(12)13-4-6-21-7-5-13)17-15(19)22-14(16(20)23-17)18-25-24-11(2)28-18;1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2*4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);12-13,21H,3-10H2,1-2H3,(H2,20,23);2-5,8H,1H3/t19-,21+;19-,21-;12-;/m000./s1
• InChIKey: AKMJNIQUFWYYFI-UJMPGJBISA-N
• XLogP: 12.16
• TPSA: 376.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.02
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate?

The IUPAC name of (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate (CID 157143869) is (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate.

What is the SMILES notation for (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate?

The canonical SMILES for (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate 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(C)o3)nc2Cl)CCN1C1CCN([C@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCNCC1.COC(=O)C(Cl)c1ccc(Cl)cc1.

What is the InChIKey of (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate?

The InChIKey is AKMJNIQUFWYYFI-UJMPGJBISA-N. The full InChI is InChI=1S/2C26H34Cl2N8O2.C18H27ClN8O.C9H8Cl2O2/c2*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;1-3-12-10-26(8-9-27(12)13-4-6-21-7-5-13)17-15(19)22-14(16(20)23-17)18-25-24-11(2)28-18;1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2*4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);12-13,21H,3-10H2,1-2H3,(H2,20,23);2-5,8H,1H3/t19-,21+;19-,21-;12-;/m000./s1.

What are the key properties of (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate?

(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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate has a molecular weight of 1749.02 g/mol, XLogP of 12.16, 20 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(2S)-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;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 2-chloro-2-(4-chlorophenyl)acetate is sourced from PubChem (CID 157143869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).