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

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCC1(N)CCN(c2nc(N)c(Sc3ccnc(Cl)c3Cl)nc2-c2nnco2)CC1
InChIInChI=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)
InChIKeyQALUAKRIDGTHOD-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.28
Rot. Bonds4

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 Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID151550928
Molecular FormulaC17H18Cl2N8OS
Molecular Weight453.36 g/mol
Exact Mass452.07
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCC1(N)CCN(c2nc(N)c(Sc3ccnc(Cl)c3Cl)nc2-c2nnco2)CC1
InChIInChI=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)
InChIKeyQALUAKRIDGTHOD-UHFFFAOYSA-N
XLogP3.28
TPSA132.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).