5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid

C15H9N7O2S — CID 162752793

IUPAC5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
SMILESCn1cc(-c2cc(-c3nnc(C(=O)O)s3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C15H9N7O2S/c1-21-6-10(5-17-21)8-2-11(13-19-20-14(25-13)15(23)24)12-9(3-16)4-18-22(12)7-8/h2,4-7H,1H3,(H,23,24)
InChIKeyWWPCLESYLCTEDM-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.82
Rot. Bonds3

About 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid

5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 162752793) has the molecular formula C15H9N7O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
PubChem CID162752793
Molecular FormulaC15H9N7O2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
SMILESCn1cc(-c2cc(-c3nnc(C(=O)O)s3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C15H9N7O2S/c1-21-6-10(5-17-21)8-2-11(13-19-20-14(25-13)15(23)24)12-9(3-16)4-18-22(12)7-8/h2,4-7H,1H3,(H,23,24)
InChIKeyWWPCLESYLCTEDM-UHFFFAOYSA-N
XLogP1.82
TPSA121.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
CID 162752716
6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164754963
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148500655
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150240
6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660411
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?
The IUPAC name of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid (CID 162752793) is 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?
The canonical SMILES for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid is Cn1cc(-c2cc(-c3nnc(C(=O)O)s3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?
The InChIKey is WWPCLESYLCTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N7O2S/c1-21-6-10(5-17-21)8-2-11(13-19-20-14(25-13)15(23)24)12-9(3-16)4-18-22(12)7-8/h2,4-7H,1H3,(H,23,24).
What are the key properties of 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid?
5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 351.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 162752793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).