3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid

C21H16N2O2S — CID 145158173

IUPAC3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
SMILESN#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2c1CCC=C2
InChIInChI=1S/C21H16N2O2S/c22-10-13-5-7-18(17-4-2-1-3-16(13)17)19-12-23-11-14-9-15(26-21(14)19)6-8-20(24)25/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,24,25)
InChIKeyFGPHODGMPORFAU-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.81
Rot. Bonds4

About 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid

3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid (PubChem CID 145158173) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
PubChem CID145158173
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
SMILESN#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2c1CCC=C2
InChIInChI=1S/C21H16N2O2S/c22-10-13-5-7-18(17-4-2-1-3-16(13)17)19-12-23-11-14-9-15(26-21(14)19)6-8-20(24)25/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,24,25)
InChIKeyFGPHODGMPORFAU-UHFFFAOYSA-N
XLogP4.81
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid with MolForge

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Related Compounds

4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
CID 134220468
ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate
CID 122582158
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
3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid
CID 162088401
3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;ethane
CID 145158144
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
8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
CID 141462578
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130
methyl 3-[4-(4-cyanonaphthalen-1-yl)isoquinolin-6-yl]-2,2-dimethylpropanoate
CID 122582211
3-[4-[5-[3-cyano-4-(2-methylpropoxy)phenyl]-1,2,4-thiadiazol-3-yl]-3-methylphenyl]propanoic acid
CID 11589859
4-(4-cyano-3-nitrophenyl)-4-oxobutanoic acid
CID 21450224
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid (CID 145158173) is 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid is N#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2c1CCC=C2.
What is the InChIKey of 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The InChIKey is FGPHODGMPORFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c22-10-13-5-7-18(17-4-2-1-3-16(13)17)19-12-23-11-14-9-15(26-21(14)19)6-8-20(24)25/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,24,25).
What are the key properties of 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid has a molecular weight of 360.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-cyano-5,6-dihydronaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 145158173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).