ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate

C33H25N5O4S4 — CID 11763858

IUPACethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccc(-c4cc(-c5cccs5)c5c(N)c(C(=O)OCC)sc5n4)n3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C33H25N5O4S4/c1-3-41-32(39)28-26(34)24-16(22-10-6-12-43-22)14-20(37-30(24)45-28)18-8-5-9-19(36-18)21-15-17(23-11-7-13-44-23)25-27(35)29(33(40)42-4-2)46-31(25)38-21/h5-15H,3-4,34-35H2,1-2H3
InChIKeyGDWMWMKPAGVRDT-UHFFFAOYSA-N
MW683.86 g/mol
LogP8.61
Rot. Bonds8

About ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 11763858) has the molecular formula C33H25N5O4S4 and a molecular weight of 683.86 g/mol. Its IUPAC name is ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID11763858
Molecular FormulaC33H25N5O4S4
Molecular Weight683.86 g/mol
Exact Mass683.08
IUPAC Nameethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccc(-c4cc(-c5cccs5)c5c(N)c(C(=O)OCC)sc5n4)n3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C33H25N5O4S4/c1-3-41-32(39)28-26(34)24-16(22-10-6-12-43-22)14-20(37-30(24)45-28)18-8-5-9-19(36-18)21-15-17(23-11-7-13-44-23)25-27(35)29(33(40)42-4-2)46-31(25)38-21/h5-15H,3-4,34-35H2,1-2H3
InChIKeyGDWMWMKPAGVRDT-UHFFFAOYSA-N
XLogP8.61
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.86
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate
CID 118059020
Ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 691782
Methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 689249
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 949348
Ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
CID 990724
Ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1380392
Isopropyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 2215233
Methyl 6-[[(2-ethoxy-2-oxoethyl)-methylamino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45175893
Methyl 6-[[butyl(methyl)amino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45489124
Butyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 1647099

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (CID 11763858) is ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccc(-c4cc(-c5cccs5)c5c(N)c(C(=O)OCC)sc5n4)n3)cc(-c3cccs3)c2c1N.
What is the InChIKey of ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is GDWMWMKPAGVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O4S4/c1-3-41-32(39)28-26(34)24-16(22-10-6-12-43-22)14-20(37-30(24)45-28)18-8-5-9-19(36-18)21-15-17(23-11-7-13-44-23)25-27(35)29(33(40)42-4-2)46-31(25)38-21/h5-15H,3-4,34-35H2,1-2H3.
What are the key properties of ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 683.86 g/mol, XLogP of 8.61, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-[6-(3-amino-2-ethoxycarbonyl-4-thiophen-2-ylthieno[2,3-b]pyridin-6-yl)-2-pyridinyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 11763858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).