3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine

C20H17N3O3S2 — CID 72711833

IUPAC3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCOc1ccc(-c2csc3c(-c4ccc(S(C)(=O)=O)cc4)cnc(N)c23)cn1
InChIInChI=1S/C20H17N3O3S2/c1-26-17-8-5-13(9-22-17)16-11-27-19-15(10-23-20(21)18(16)19)12-3-6-14(7-4-12)28(2,24)25/h3-11H,1-2H3,(H2,21,23)
InChIKeyNDZFWROBPHOUOX-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.02
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine

3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 72711833) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID72711833
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCOc1ccc(-c2csc3c(-c4ccc(S(C)(=O)=O)cc4)cnc(N)c23)cn1
InChIInChI=1S/C20H17N3O3S2/c1-26-17-8-5-13(9-22-17)16-11-27-19-15(10-23-20(21)18(16)19)12-3-6-14(7-4-12)28(2,24)25/h3-11H,1-2H3,(H2,21,23)
InChIKeyNDZFWROBPHOUOX-UHFFFAOYSA-N
XLogP4.02
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[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-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine (CID 72711833) is 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine is COc1ccc(-c2csc3c(-c4ccc(S(C)(=O)=O)cc4)cnc(N)c23)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is NDZFWROBPHOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-26-17-8-5-13(9-22-17)16-11-27-19-15(10-23-20(21)18(16)19)12-3-6-14(7-4-12)28(2,24)25/h3-11H,1-2H3,(H2,21,23).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine?
3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 72711833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).