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

C23H22FN7S — CID 171847288

IUPAC4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nc(Sc2cc(-c3cnn(C4CCNCC4)c3C)cn3ncc(C#N)c23)ccc1F
InChIInChI=1S/C23H22FN7S/c1-14-20(24)3-4-22(29-14)32-21-9-16(13-30-23(21)17(10-25)11-27-30)19-12-28-31(15(19)2)18-5-7-26-8-6-18/h3-4,9,11-13,18,26H,5-8H2,1-2H3
InChIKeyYLSGSFZTBNEYCF-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.30
Rot. Bonds4

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

4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847288) has the molecular formula C23H22FN7S and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847288
Molecular FormulaC23H22FN7S
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1nc(Sc2cc(-c3cnn(C4CCNCC4)c3C)cn3ncc(C#N)c23)ccc1F
InChIInChI=1S/C23H22FN7S/c1-14-20(24)3-4-22(29-14)32-21-9-16(13-30-23(21)17(10-25)11-27-30)19-12-28-31(15(19)2)18-5-7-26-8-6-18/h3-4,9,11-13,18,26H,5-8H2,1-2H3
InChIKeyYLSGSFZTBNEYCF-UHFFFAOYSA-N
XLogP4.30
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847288) is 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1nc(Sc2cc(-c3cnn(C4CCNCC4)c3C)cn3ncc(C#N)c23)ccc1F.
What is the InChIKey of 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YLSGSFZTBNEYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7S/c1-14-20(24)3-4-22(29-14)32-21-9-16(13-30-23(21)17(10-25)11-27-30)19-12-28-31(15(19)2)18-5-7-26-8-6-18/h3-4,9,11-13,18,26H,5-8H2,1-2H3.
What are the key properties of 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 447.54 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).