3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine

C15H17ClFN5S — CID 170924652

IUPAC3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine
SMILESNc1cccc(Sc2ncc(N3CCC(F)CC3)nc2N)c1Cl
InChIInChI=1S/C15H17ClFN5S/c16-13-10(18)2-1-3-11(13)23-15-14(19)21-12(8-20-15)22-6-4-9(17)5-7-22/h1-3,8-9H,4-7,18H2,(H2,19,21)
InChIKeyUDYFYUXVJXAXCE-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.38
Rot. Bonds3

About 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine

3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine (PubChem CID 170924652) has the molecular formula C15H17ClFN5S and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine
PubChem CID170924652
Molecular FormulaC15H17ClFN5S
Molecular Weight353.85 g/mol
Exact Mass353.09
IUPAC Name3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine
SMILESNc1cccc(Sc2ncc(N3CCC(F)CC3)nc2N)c1Cl
InChIInChI=1S/C15H17ClFN5S/c16-13-10(18)2-1-3-11(13)23-15-14(19)21-12(8-20-15)22-6-4-9(17)5-7-22/h1-3,8-9H,4-7,18H2,(H2,19,21)
InChIKeyUDYFYUXVJXAXCE-UHFFFAOYSA-N
XLogP3.38
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-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 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine?
The IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine (CID 170924652) is 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine?
The canonical SMILES for 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine is Nc1cccc(Sc2ncc(N3CCC(F)CC3)nc2N)c1Cl.
What is the InChIKey of 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine?
The InChIKey is UDYFYUXVJXAXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5S/c16-13-10(18)2-1-3-11(13)23-15-14(19)21-12(8-20-15)22-6-4-9(17)5-7-22/h1-3,8-9H,4-7,18H2,(H2,19,21).
What are the key properties of 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine?
3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine has a molecular weight of 353.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-fluoropiperidin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 170924652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).