(2R)-2-[4-[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

C26H34Cl2N8O2 — CID 143278887

About (2R)-2-[4-[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

(2R)-2-[4-[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 (PubChem CID 143278887) has the molecular formula C26H34Cl2N8O2 and a molecular weight of 561.52 g/mol. Its IUPAC name is (2R)-2-[4-[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.

Molecular Properties

• Compound Name: (2R)-2-[4-[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
• PubChem CID: 143278887
• Molecular Formula: C26H34Cl2N8O2
• Molecular Weight: 561.52 g/mol
• Exact Mass: 560.22
• IUPAC Name: (2R)-2-[4-[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
• SMILES: CCC1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C26H34Cl2N8O2/c1-3-19-14-35(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/h4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31)/t19?,21-/m0/s1
• InChIKey: PSNRLKRSKMXDEK-QWAKEFERSA-N
• XLogP: 3.82
• TPSA: 120.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.52
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[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?

The IUPAC name of (2R)-2-[4-[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 (CID 143278887) is (2R)-2-[4-[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.

What is the SMILES notation for (2R)-2-[4-[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?

The canonical SMILES for (2R)-2-[4-[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 is CCC1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.

What is the InChIKey of (2R)-2-[4-[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?

The InChIKey is PSNRLKRSKMXDEK-QWAKEFERSA-N. The full InChI is InChI=1S/C26H34Cl2N8O2/c1-3-19-14-35(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/h4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31)/t19?,21-/m0/s1.

What are the key properties of (2R)-2-[4-[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?

(2R)-2-[4-[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 has a molecular weight of 561.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[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 is sourced from PubChem (CID 143278887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).