2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C38H34N8O3S5 — CID 130295903

IUPAC2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1cc2c(-c3ccccn3)cc(-c3ncccc3Cc3ncc(-c4cc(-c5nccs5)nc5sc(S(=O)CCOC)c(N)c45)n3C)nc2s1
InChIInChI=1S/C38H34N8O3S5/c1-4-15-53(47)31-20-24-23(26-9-5-6-10-40-26)18-27(44-35(24)51-31)34-22(8-7-11-41-34)17-30-43-21-29(46(30)2)25-19-28(36-42-12-14-50-36)45-37-32(25)33(39)38(52-37)54(48)16-13-49-3/h5-12,14,18-21H,4,13,15-17,39H2,1-3H3
InChIKeyDTPXUJGPFUAJOE-UHFFFAOYSA-N
MW811.08 g/mol
LogP8.00
Rot. Bonds13

About 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 130295903) has the molecular formula C38H34N8O3S5 and a molecular weight of 811.08 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID130295903
Molecular FormulaC38H34N8O3S5
Molecular Weight811.08 g/mol
Exact Mass810.14
IUPAC Name2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1cc2c(-c3ccccn3)cc(-c3ncccc3Cc3ncc(-c4cc(-c5nccs5)nc5sc(S(=O)CCOC)c(N)c45)n3C)nc2s1
InChIInChI=1S/C38H34N8O3S5/c1-4-15-53(47)31-20-24-23(26-9-5-6-10-40-26)18-27(44-35(24)51-31)34-22(8-7-11-41-34)17-30-43-21-29(46(30)2)25-19-28(36-42-12-14-50-36)45-37-32(25)33(39)38(52-37)54(48)16-13-49-3/h5-12,14,18-21H,4,13,15-17,39H2,1-3H3
InChIKeyDTPXUJGPFUAJOE-UHFFFAOYSA-N
XLogP8.00
TPSA151.66 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.08
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-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 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 130295903) is 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCS(=O)c1cc2c(-c3ccccn3)cc(-c3ncccc3Cc3ncc(-c4cc(-c5nccs5)nc5sc(S(=O)CCOC)c(N)c45)n3C)nc2s1.
What is the InChIKey of 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is DTPXUJGPFUAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N8O3S5/c1-4-15-53(47)31-20-24-23(26-9-5-6-10-40-26)18-27(44-35(24)51-31)34-22(8-7-11-41-34)17-30-43-21-29(46(30)2)25-19-28(36-42-12-14-50-36)45-37-32(25)33(39)38(52-37)54(48)16-13-49-3/h5-12,14,18-21H,4,13,15-17,39H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 811.08 g/mol, XLogP of 8.00, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfinyl)-4-[3-methyl-2-[[2-(2-propylsulfinyl-4-pyridin-2-ylthieno[2,3-b]pyridin-6-yl)-3-pyridinyl]methyl]imidazol-4-yl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 130295903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).