4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile

C17H15N3O3S — CID 58840756

IUPAC4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile
SMILESCOc1cc(-c2cc3c(N)ncc(C#N)c3s2)cc(OC)c1OC
InChIInChI=1S/C17H15N3O3S/c1-21-12-4-9(5-13(22-2)15(12)23-3)14-6-11-16(24-14)10(7-18)8-20-17(11)19/h4-6,8H,1-3H3,(H2,19,20)
InChIKeyPLOXXWUIUVIZML-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.44
Rot. Bonds4

About 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile

4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile (PubChem CID 58840756) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile
PubChem CID58840756
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile
SMILESCOc1cc(-c2cc3c(N)ncc(C#N)c3s2)cc(OC)c1OC
InChIInChI=1S/C17H15N3O3S/c1-21-12-4-9(5-13(22-2)15(12)23-3)14-6-11-16(24-14)10(7-18)8-20-17(11)19/h4-6,8H,1-3H3,(H2,19,20)
InChIKeyPLOXXWUIUVIZML-UHFFFAOYSA-N
XLogP3.44
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile (CID 58840756) is 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile is COc1cc(-c2cc3c(N)ncc(C#N)c3s2)cc(OC)c1OC.
What is the InChIKey of 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile?
The InChIKey is PLOXXWUIUVIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-21-12-4-9(5-13(22-2)15(12)23-3)14-6-11-16(24-14)10(7-18)8-20-17(11)19/h4-6,8H,1-3H3,(H2,19,20).
What are the key properties of 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile?
4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile has a molecular weight of 341.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 58840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).