3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine

C22H19ClN2O3S — CID 11177814

IUPAC3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCOc1cc(-c2cnc(N)c3c(-c4ccc(Cl)cc4)csc23)cc(OC)c1OC
InChIInChI=1S/C22H19ClN2O3S/c1-26-17-8-13(9-18(27-2)20(17)28-3)15-10-25-22(24)19-16(11-29-21(15)19)12-4-6-14(23)7-5-12/h4-11H,1-3H3,(H2,24,25)
InChIKeyQBNOYHBUJDURLA-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.89
Rot. Bonds5

About 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine

3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 11177814) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID11177814
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCOc1cc(-c2cnc(N)c3c(-c4ccc(Cl)cc4)csc23)cc(OC)c1OC
InChIInChI=1S/C22H19ClN2O3S/c1-26-17-8-13(9-18(27-2)20(17)28-3)15-10-25-22(24)19-16(11-29-21(15)19)12-4-6-14(23)7-5-12/h4-11H,1-3H3,(H2,24,25)
InChIKeyQBNOYHBUJDURLA-UHFFFAOYSA-N
XLogP5.89
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 11177814) is 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine is COc1cc(-c2cnc(N)c3c(-c4ccc(Cl)cc4)csc23)cc(OC)c1OC.
What is the InChIKey of 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is QBNOYHBUJDURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-26-17-8-13(9-18(27-2)20(17)28-3)15-10-25-22(24)19-16(11-29-21(15)19)12-4-6-14(23)7-5-12/h4-11H,1-3H3,(H2,24,25).
What are the key properties of 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine?
3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 426.93 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 11177814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).