3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C41H35N5O3S4 — CID 70126423

IUPAC3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCc1c(-c2cccs2)nc2sc(C(=O)O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C21H19N3OS2.C20H16N2O2S2/c1-12(2)23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)11-15(24-21(17)27-19)16-9-6-10-26-16;1-2-12-14(11-7-4-3-5-8-11)15-16(21)18(20(23)24)26-19(15)22-17(12)13-9-6-10-25-13/h3-12H,22H2,1-2H3,(H,23,25);3-10H,2,21H2,1H3,(H,23,24)
InChIKeyLKRCXQWGZDDEIY-UHFFFAOYSA-N
MW774.03 g/mol
LogP10.95
Rot. Bonds8

About 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 70126423) has the molecular formula C41H35N5O3S4 and a molecular weight of 774.03 g/mol. Its IUPAC name is 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID70126423
Molecular FormulaC41H35N5O3S4
Molecular Weight774.03 g/mol
Exact Mass773.16
IUPAC Name3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCc1c(-c2cccs2)nc2sc(C(=O)O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C21H19N3OS2.C20H16N2O2S2/c1-12(2)23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)11-15(24-21(17)27-19)16-9-6-10-26-16;1-2-12-14(11-7-4-3-5-8-11)15-16(21)18(20(23)24)26-19(15)22-17(12)13-9-6-10-25-13/h3-12H,22H2,1-2H3,(H,23,25);3-10H,2,21H2,1H3,(H,23,24)
InChIKeyLKRCXQWGZDDEIY-UHFFFAOYSA-N
XLogP10.95
TPSA144.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.03
LogP ≤ 510.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-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 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 70126423) is 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCc1c(-c2cccs2)nc2sc(C(=O)O)c(N)c2c1-c1ccccc1.
What is the InChIKey of 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LKRCXQWGZDDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS2.C20H16N2O2S2/c1-12(2)23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)11-15(24-21(17)27-19)16-9-6-10-26-16;1-2-12-14(11-7-4-3-5-8-11)15-16(21)18(20(23)24)26-19(15)22-17(12)13-9-6-10-25-13/h3-12H,22H2,1-2H3,(H,23,25);3-10H,2,21H2,1H3,(H,23,24).
What are the key properties of 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 774.03 g/mol, XLogP of 10.95, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-4-phenyl-N-propan-2-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 70126423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).