4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

C22H22N6S — CID 171848428

IUPAC4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3)cc(Sc3ccccc3)c12
InChIInChI=1S/C17H11N5S.C5H11N/c18-7-13-10-21-22-11-12(14-8-19-20-9-14)6-16(17(13)22)23-15-4-2-1-3-5-15;1-2-4-6-5-3-1/h1-6,8-11H,(H,19,20);6H,1-5H2
InChIKeyAZZRGEUUCZSXDH-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.51
Rot. Bonds3

About 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (PubChem CID 171848428) has the molecular formula C22H22N6S and a molecular weight of 402.53 g/mol. Its IUPAC name is 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.

Molecular Properties

Compound Name4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
PubChem CID171848428
Molecular FormulaC22H22N6S
Molecular Weight402.53 g/mol
Exact Mass402.16
IUPAC Name4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3)cc(Sc3ccccc3)c12
InChIInChI=1S/C17H11N5S.C5H11N/c18-7-13-10-21-22-11-12(14-8-19-20-9-14)6-16(17(13)22)23-15-4-2-1-3-5-15;1-2-4-6-5-3-1/h1-6,8-11H,(H,19,20);6H,1-5H2
InChIKeyAZZRGEUUCZSXDH-UHFFFAOYSA-N
XLogP4.51
TPSA81.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-chloro-2-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848371
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847960
4-hydroxy-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848572
4-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848125
4-[(2R)-1-propan-2-yloxypropan-2-yl]sulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848133
ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171848450
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171847982
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847272
4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848514
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848407

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The IUPAC name of 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (CID 171848428) is 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.
What is the SMILES notation for 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The canonical SMILES for 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is C1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3)cc(Sc3ccccc3)c12.
What is the InChIKey of 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The InChIKey is AZZRGEUUCZSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S.C5H11N/c18-7-13-10-21-22-11-12(14-8-19-20-9-14)6-16(17(13)22)23-15-4-2-1-3-5-15;1-2-4-6-5-3-1/h1-6,8-11H,(H,19,20);6H,1-5H2.
What are the key properties of 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine has a molecular weight of 402.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is sourced from PubChem (CID 171848428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).