2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

C23H20N4O3S — CID 20767797

IUPAC2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
SMILESCCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C23H20N4O3S/c1-4-16-20(23(28)24-2)14-6-5-13(11-18(14)30-16)29-17-7-8-25-15-12-19(31-21(15)17)22-26-9-10-27(22)3/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyHGPLZMQMVPEWIE-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.16
Rot. Bonds5

About 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 20767797) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID20767797
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
SMILESCCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C23H20N4O3S/c1-4-16-20(23(28)24-2)14-6-5-13(11-18(14)30-16)29-17-7-8-25-15-12-19(31-21(15)17)22-26-9-10-27(22)3/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyHGPLZMQMVPEWIE-UHFFFAOYSA-N
XLogP5.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide 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 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (CID 20767797) is 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is CCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC.
What is the InChIKey of 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is HGPLZMQMVPEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-4-16-20(23(28)24-2)14-6-5-13(11-18(14)30-16)29-17-7-8-25-15-12-19(31-21(15)17)22-26-9-10-27(22)3/h5-12H,4H2,1-3H3,(H,24,28).
What are the key properties of 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).