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

C22H20FN7S — CID 171847267

IUPAC4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccc(F)c(Sc2cc(-c3cnn(C4CCNCC4)c3)cn3ncc(C#N)c23)n1
InChIInChI=1S/C22H20FN7S/c1-14-2-3-19(23)22(28-14)31-20-8-15(12-30-21(20)16(9-24)10-27-30)17-11-26-29(13-17)18-4-6-25-7-5-18/h2-3,8,10-13,18,25H,4-7H2,1H3
InChIKeyBWIPCJWEYNQZSY-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.99
Rot. Bonds4

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

4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847267) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847267
Molecular FormulaC22H20FN7S
Molecular Weight433.52 g/mol
Exact Mass433.15
IUPAC Name4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccc(F)c(Sc2cc(-c3cnn(C4CCNCC4)c3)cn3ncc(C#N)c23)n1
InChIInChI=1S/C22H20FN7S/c1-14-2-3-19(23)22(28-14)31-20-8-15(12-30-21(20)16(9-24)10-27-30)17-11-26-29(13-17)18-4-6-25-7-5-18/h2-3,8,10-13,18,25H,4-7H2,1H3
InChIKeyBWIPCJWEYNQZSY-UHFFFAOYSA-N
XLogP3.99
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847267) is 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccc(F)c(Sc2cc(-c3cnn(C4CCNCC4)c3)cn3ncc(C#N)c23)n1.
What is the InChIKey of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BWIPCJWEYNQZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7S/c1-14-2-3-19(23)22(28-14)31-20-8-15(12-30-21(20)16(9-24)10-27-30)17-11-26-29(13-17)18-4-6-25-7-5-18/h2-3,8,10-13,18,25H,4-7H2,1H3.
What are the key properties of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 433.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).