ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate

C23H20N2O2S — CID 15681722

IUPACethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N
InChIInChI=1S/C23H20N2O2S/c1-3-27-23(26)21-20(24)19-17(15-11-9-14(2)10-12-15)13-18(25-22(19)28-21)16-7-5-4-6-8-16/h4-13H,3,24H2,1-2H3
InChIKeySQNBIEOIWYFBOM-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.70
Rot. Bonds4

About ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 15681722) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID15681722
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Nameethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N
InChIInChI=1S/C23H20N2O2S/c1-3-27-23(26)21-20(24)19-17(15-11-9-14(2)10-12-15)13-18(25-22(19)28-21)16-7-5-4-6-8-16/h4-13H,3,24H2,1-2H3
InChIKeySQNBIEOIWYFBOM-UHFFFAOYSA-N
XLogP5.70
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
CID 171980571
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
ethyl 3-amino-4-(1,3-diphenylpyrazol-4-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10649541
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670
ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
CID 163918979

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate (CID 15681722) is ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SQNBIEOIWYFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-3-27-23(26)21-20(24)19-17(15-11-9-14(2)10-12-15)13-18(25-22(19)28-21)16-7-5-4-6-8-16/h4-13H,3,24H2,1-2H3.
What are the key properties of ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 15681722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).