4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H18F2N6S — CID 171847289

IUPAC4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3c(F)cccc3F)c12
InChIInChI=1S/C22H18F2N6S/c23-18-4-1-5-19(24)22(18)31-20-7-14(12-30-21(20)15(8-25)9-28-30)16-10-27-29(13-16)17-3-2-6-26-11-17/h1,4-5,7,9-10,12-13,17,26H,2-3,6,11H2
InChIKeyMSDOXSNVWHJANO-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.42
Rot. Bonds4

About 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847289) has the molecular formula C22H18F2N6S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847289
Molecular FormulaC22H18F2N6S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC Name4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3c(F)cccc3F)c12
InChIInChI=1S/C22H18F2N6S/c23-18-4-1-5-19(24)22(18)31-20-7-14(12-30-21(20)15(8-25)9-28-30)16-10-27-29(13-16)17-3-2-6-26-11-17/h1,4-5,7,9-10,12-13,17,26H,2-3,6,11H2
InChIKeyMSDOXSNVWHJANO-UHFFFAOYSA-N
XLogP4.42
TPSA70.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847289) is 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3c(F)cccc3F)c12.
What is the InChIKey of 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MSDOXSNVWHJANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6S/c23-18-4-1-5-19(24)22(18)31-20-7-14(12-30-21(20)15(8-25)9-28-30)16-10-27-29(13-16)17-3-2-6-26-11-17/h1,4-5,7,9-10,12-13,17,26H,2-3,6,11H2.
What are the key properties of 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 436.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).