4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H18FN7S — CID 171847950

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCNCC3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C24H18FN7S/c25-20-2-3-21(17(9-20)11-26)33-22-10-18(15-32-24(22)19(12-27)14-30-32)16-1-4-23(29-13-16)31-7-5-28-6-8-31/h1-4,9-10,13-15,28H,5-8H2
InChIKeyJCWQLSBKXWRHRB-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.84
Rot. Bonds4

About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847950) has the molecular formula C24H18FN7S and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847950
Molecular FormulaC24H18FN7S
Molecular Weight455.52 g/mol
Exact Mass455.13
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCNCC3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C24H18FN7S/c25-20-2-3-21(17(9-20)11-26)33-22-10-18(15-32-24(22)19(12-27)14-30-32)16-1-4-23(29-13-16)31-7-5-28-6-8-31/h1-4,9-10,13-15,28H,5-8H2
InChIKeyJCWQLSBKXWRHRB-UHFFFAOYSA-N
XLogP3.84
TPSA93.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848273
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848552
2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile
CID 175637855
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847296
6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155275559
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[(3R)-5,5-dimethylpyrrolidin-3-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847843
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847950) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCNCC3)nc2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JCWQLSBKXWRHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7S/c25-20-2-3-21(17(9-20)11-26)33-22-10-18(15-32-24(22)19(12-27)14-30-32)16-1-4-23(29-13-16)31-7-5-28-6-8-31/h1-4,9-10,13-15,28H,5-8H2.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 455.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).