2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C19H12N4O2S — CID 162662413

IUPAC2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESN#Cc1ccc(-n2c(SCC(=O)O)nc3cnccc32)c2ccccc12
InChIInChI=1S/C19H12N4O2S/c20-9-12-5-6-16(14-4-2-1-3-13(12)14)23-17-7-8-21-10-15(17)22-19(23)26-11-18(24)25/h1-8,10H,11H2,(H,24,25)
InChIKeyUSDLQUKZLIEVSU-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 162662413) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID162662413
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESN#Cc1ccc(-n2c(SCC(=O)O)nc3cnccc32)c2ccccc12
InChIInChI=1S/C19H12N4O2S/c20-9-12-5-6-16(14-4-2-1-3-13(12)14)23-17-7-8-21-10-15(17)22-19(23)26-11-18(24)25/h1-8,10H,11H2,(H,24,25)
InChIKeyUSDLQUKZLIEVSU-UHFFFAOYSA-N
XLogP3.62
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-cyanonaphthalen-1-yl)benzimidazol-2-yl]sulfanyl-2,2-dimethylpropanoic acid
CID 174996798
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520
methyl 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
CID 162669727
ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate
CID 134241841
2-[[5-bromo-4-(4-cyanonaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 70904485
2-[(3-cyano-4-pyridinyl)sulfanyl]acetic acid
CID 131036257
methyl 4-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylbutanoate
CID 162671317
1-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylcyclobutane-1-carboxylic acid
CID 162669596
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 103462857
2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
4-(3-sulfanylpyrrolo[3,2-c]pyridin-1-yl)naphthalene-1-carbonitrile
CID 175122968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 162662413) is 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is N#Cc1ccc(-n2c(SCC(=O)O)nc3cnccc32)c2ccccc12.
What is the InChIKey of 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is USDLQUKZLIEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c20-9-12-5-6-16(14-4-2-1-3-13(12)14)23-17-7-8-21-10-15(17)22-19(23)26-11-18(24)25/h1-8,10H,11H2,(H,24,25).
What are the key properties of 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 360.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 162662413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).