3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

C18H11ClFN3S — CID 11222000

IUPAC3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C18H11ClFN3S/c19-14-6-10(3-4-15(14)20)13-9-24-17-12(8-23-18(21)16(13)17)11-2-1-5-22-7-11/h1-9H,(H2,21,23)
InChIKeyKCNVTGLNNQQIHH-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.40
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 11222000) has the molecular formula C18H11ClFN3S and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
PubChem CID11222000
Molecular FormulaC18H11ClFN3S
Molecular Weight355.83 g/mol
Exact Mass355.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C18H11ClFN3S/c19-14-6-10(3-4-15(14)20)13-9-24-17-12(8-23-18(21)16(13)17)11-2-1-5-22-7-11/h1-9H,(H2,21,23)
InChIKeyKCNVTGLNNQQIHH-UHFFFAOYSA-N
XLogP5.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-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-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (CID 11222000) is 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The InChIKey is KCNVTGLNNQQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3S/c19-14-6-10(3-4-15(14)20)13-9-24-17-12(8-23-18(21)16(13)17)11-2-1-5-22-7-11/h1-9H,(H2,21,23).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 355.83 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 11222000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).