4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

C22H22FN7OS — CID 171847982

IUPAC4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3CO)cc(Sc3ncccc3F)c12
InChIInChI=1S/C17H11FN6OS.C5H11N/c18-13-2-1-3-20-17(13)26-15-4-10(12-7-21-23-14(12)9-25)8-24-16(15)11(5-19)6-22-24;1-2-4-6-5-3-1/h1-4,6-8,25H,9H2,(H,21,23);6H,1-5H2
InChIKeyZDGYSALGRXDQCC-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.53
Rot. Bonds4

About 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (PubChem CID 171847982) has the molecular formula C22H22FN7OS and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
PubChem CID171847982
Molecular FormulaC22H22FN7OS
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3CO)cc(Sc3ncccc3F)c12
InChIInChI=1S/C17H11FN6OS.C5H11N/c18-13-2-1-3-20-17(13)26-15-4-10(12-7-21-23-14(12)9-25)8-24-16(15)11(5-19)6-22-24;1-2-4-6-5-3-1/h1-4,6-8,25H,9H2,(H,21,23);6H,1-5H2
InChIKeyZDGYSALGRXDQCC-UHFFFAOYSA-N
XLogP3.53
TPSA114.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848516
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848619
6-[1-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848453
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848503
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847907
6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848225
2-amino-N,N-dimethylacetamide;6-(1-cyclohexyl-5-methylpyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848509
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847964
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848074
6-[1-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
6-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848582

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (CID 171847982) is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is C1CCNCC1.N#Cc1cnn2cc(-c3cn[nH]c3CO)cc(Sc3ncccc3F)c12.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The InChIKey is ZDGYSALGRXDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6OS.C5H11N/c18-13-2-1-3-20-17(13)26-15-4-10(12-7-21-23-14(12)9-25)8-24-16(15)11(5-19)6-22-24;1-2-4-6-5-3-1/h1-4,6-8,25H,9H2,(H,21,23);6H,1-5H2.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine has a molecular weight of 451.53 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is sourced from PubChem (CID 171847982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).