[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

C17H16FN5OS — CID 176733486

IUPAC[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(F)nc3)cnc12
InChIInChI=1S/C17H16FN5OS/c18-12-5-4-10(8-20-12)11-9-21-14-13(19)15(25-16(14)22-11)17(24)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7,19H2
InChIKeyWENYQGIUKMHMTK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.10
Rot. Bonds2

About [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (PubChem CID 176733486) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
PubChem CID176733486
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(F)nc3)cnc12
InChIInChI=1S/C17H16FN5OS/c18-12-5-4-10(8-20-12)11-9-21-14-13(19)15(25-16(14)22-11)17(24)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7,19H2
InChIKeyWENYQGIUKMHMTK-UHFFFAOYSA-N
XLogP3.10
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone 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 [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (CID 176733486) is [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(F)nc3)cnc12.
What is the InChIKey of [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is WENYQGIUKMHMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c18-12-5-4-10(8-20-12)11-9-21-14-13(19)15(25-16(14)22-11)17(24)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7,19H2.
What are the key properties of [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
[7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 357.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-3-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 176733486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).