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

C19H15N3O2S2 — CID 139219256

IUPACethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccnc3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C19H15N3O2S2/c1-2-24-19(23)17-16(20)15-12(14-6-4-8-25-14)9-13(22-18(15)26-17)11-5-3-7-21-10-11/h3-10H,2,20H2,1H3
InChIKeyMJJAELVYPLVIJS-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.85
Rot. Bonds4

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

ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 139219256) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID139219256
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Nameethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccnc3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C19H15N3O2S2/c1-2-24-19(23)17-16(20)15-12(14-6-4-8-25-14)9-13(22-18(15)26-17)11-5-3-7-21-10-11/h3-10H,2,20H2,1H3
InChIKeyMJJAELVYPLVIJS-UHFFFAOYSA-N
XLogP4.85
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 676133
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 118058996
Ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate
CID 118059020
Methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 118059025
4-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid
CID 118059095
Ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 691782
Methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 613092

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (CID 139219256) is ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccnc3)cc(-c3cccs3)c2c1N.
What is the InChIKey of ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MJJAELVYPLVIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-2-24-19(23)17-16(20)15-12(14-6-4-8-25-14)9-13(22-18(15)26-17)11-5-3-7-21-10-11/h3-10H,2,20H2,1H3.
What are the key properties of ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 139219256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).