ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate

C24H20N2O2S — CID 122582158

IUPACethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1
InChIInChI=1S/C24H20N2O2S/c1-3-28-24(27)15(2)10-18-11-17-13-26-14-22(23(17)29-18)21-9-8-16(12-25)19-6-4-5-7-20(19)21/h4-9,11,13-15H,3,10H2,1-2H3
InChIKeyHGWGXOALSNTMFH-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.73
Rot. Bonds5

About ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate

ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate (PubChem CID 122582158) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate
PubChem CID122582158
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Nameethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1
InChIInChI=1S/C24H20N2O2S/c1-3-28-24(27)15(2)10-18-11-17-13-26-14-22(23(17)29-18)21-9-8-16(12-25)19-6-4-5-7-20(19)21/h4-9,11,13-15H,3,10H2,1-2H3
InChIKeyHGWGXOALSNTMFH-UHFFFAOYSA-N
XLogP5.73
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate 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

lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide
CID 159214255
4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
CID 134220468
lithium;(3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid;(3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)butanoate;ethyl (3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl (3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;methane;hydroxide
CID 158319811
methyl 3-[4-(4-cyanonaphthalen-1-yl)isoquinolin-6-yl]-2,2-dimethylpropanoate
CID 122582211
3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
CID 145158173
ethyl 3-[4,5-dicyano-2-(3-ethoxy-2-methyl-3-oxopropyl)phenyl]-2-methylpropanoate
CID 10784472
ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate
CID 159055520
ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952
4-[6-(2,2-dimethylbut-3-enyl)isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 146653930
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate?
The IUPAC name of ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate (CID 122582158) is ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate is CCOC(=O)C(C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.
What is the InChIKey of ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate?
The InChIKey is HGWGXOALSNTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-3-28-24(27)15(2)10-18-11-17-13-26-14-22(23(17)29-18)21-9-8-16(12-25)19-6-4-5-7-20(19)21/h4-9,11,13-15H,3,10H2,1-2H3.
What are the key properties of ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate?
ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate has a molecular weight of 400.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 122582158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).