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

C21H14N2O2S — CID 122582081

IUPAC3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
SMILESN#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2ccccc12
InChIInChI=1S/C21H14N2O2S/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/h1-5,7,9,11-12H,6,8H2,(H,24,25)
InChIKeyGDRXSIKHBFWDOS-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.01
Rot. Bonds4

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

3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid (PubChem CID 122582081) has the molecular formula C21H14N2O2S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
PubChem CID122582081
Molecular FormulaC21H14N2O2S
Molecular Weight358.42 g/mol
Exact Mass358.08
IUPAC Name3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid
SMILESN#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2ccccc12
InChIInChI=1S/C21H14N2O2S/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/h1-5,7,9,11-12H,6,8H2,(H,24,25)
InChIKeyGDRXSIKHBFWDOS-UHFFFAOYSA-N
XLogP5.01
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Verinurad
CID 54767229
Puliginurad
CID 122582049
4-[3-(4-Cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2,2-difluorobutanoic acid
CID 118902134
2-[[3-[(4-Cyanonaphthalen-1-yl)methyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 139483446
US10266493, Example 2J
CID 54767397
US10266493, Example 4C
CID 70651169
1-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl]cyclobutane-1-carboxylic acid
CID 118902123
1-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl]cyclopentane-1-carboxylic acid
CID 118902124
4-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]butanoic acid
CID 118902128
2-[1-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 118902129
3-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130
3-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl]cyclobutane-1-carboxylic acid
CID 118902131

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid (CID 122582081) is 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid is N#Cc1ccc(-c2cncc3cc(CCC(=O)O)sc23)c2ccccc12.
What is the InChIKey of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
The InChIKey is GDRXSIKHBFWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2S/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/h1-5,7,9,11-12H,6,8H2,(H,24,25).
What are the key properties of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid?
3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid has a molecular weight of 358.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 122582081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).