6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C₁₇H₁₈Cl₂N₈OS — CID 151550928

About 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 151550928) has the molecular formula C₁₇H₁₈Cl₂N₈OS and a molecular weight of 453.36 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 151550928
• Molecular Formula: C₁₇H₁₈Cl₂N₈OS
• Molecular Weight: 453.36 g/mol
• Exact Mass: 452.07
• IUPAC Name: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• SMILES: CC1(N)CCN(c2nc(N)c(Sc3ccnc(Cl)c3Cl)nc2-c2nnco2)CC1
• InChI: InChI=1S/C17H18Cl2N8OS/c1-17(21)3-6-27(7-4-17)14-11(15-26-23-8-28-15)24-16(13(20)25-14)29-9-2-5-22-12(19)10(9)18/h2,5,8H,3-4,6-7,21H2,1H3,(H2,20,25)
• InChIKey: QALUAKRIDGTHOD-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 132.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.36
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 151550928) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CC1(N)CCN(c2nc(N)c(Sc3ccnc(Cl)c3Cl)nc2-c2nnco2)CC1.

What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The InChIKey is QALUAKRIDGTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N8OS/c1-17(21)3-6-27(7-4-17)14-11(15-26-23-8-28-15)24-16(13(20)25-14)29-9-2-5-22-12(19)10(9)18/h2,5,8H,3-4,6-7,21H2,1H3,(H2,20,25).

What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 453.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 151550928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151550928 — identifiers, structure, computed properties (public domain)

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