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

C19H15FN6O2S — CID 171847343

IUPAC6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C(CO)CO)c3)cc(Sc3ncccc3F)c12
InChIInChI=1S/C19H15FN6O2S/c20-16-2-1-3-22-19(16)29-17-4-12(8-26-18(17)13(5-21)6-24-26)14-7-23-25(9-14)15(10-27)11-28/h1-4,6-9,15,27-28H,10-11H2
InChIKeyMJHQLQGBYAPGRM-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.28
Rot. Bonds6

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

6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847343) has the molecular formula C19H15FN6O2S and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847343
Molecular FormulaC19H15FN6O2S
Molecular Weight410.43 g/mol
Exact Mass410.10
IUPAC Name6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C(CO)CO)c3)cc(Sc3ncccc3F)c12
InChIInChI=1S/C19H15FN6O2S/c20-16-2-1-3-22-19(16)29-17-4-12(8-26-18(17)13(5-21)6-24-26)14-7-23-25(9-14)15(10-27)11-28/h1-4,6-9,15,27-28H,10-11H2
InChIKeyMJHQLQGBYAPGRM-UHFFFAOYSA-N
XLogP2.28
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847343) is 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C(CO)CO)c3)cc(Sc3ncccc3F)c12.
What is the InChIKey of 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MJHQLQGBYAPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2S/c20-16-2-1-3-22-19(16)29-17-4-12(8-26-18(17)13(5-21)6-24-26)14-7-23-25(9-14)15(10-27)11-28/h1-4,6-9,15,27-28H,10-11H2.
What are the key properties of 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 410.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).