(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

C17H14FN3OS — CID 18450602

IUPAC(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22)/b7-4+
InChIKeyNPFQGFITODOECX-QPJJXVBHSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds3

About (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 18450602) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID18450602
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22)/b7-4+
InChIKeyNPFQGFITODOECX-QPJJXVBHSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide 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 (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 18450602) is (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(F)cc3)csc12.
What is the InChIKey of (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is NPFQGFITODOECX-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22)/b7-4+.
What are the key properties of (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
(E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 18450602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).