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

C24H22FN7O2S — CID 171847907

About 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

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 (PubChem CID 171847907) has the molecular formula C24H22FN7O2S and a molecular weight of 491.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171847907
• Molecular Formula: C24H22FN7O2S
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.15
• IUPAC Name: 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
• SMILES: Cc1nn([C@H]2CCCN(C(=O)CO)C2)cc1-c1cc(Sc2ncccc2F)c2c(C#N)cnn2c1
• InChI: InChI=1S/C24H22FN7O2S/c1-15-19(13-31(29-15)18-4-3-7-30(12-18)22(34)14-33)16-8-21(35-24-20(25)5-2-6-27-24)23-17(9-26)10-28-32(23)11-16/h2,5-6,8,10-11,13,18,33H,3-4,7,12,14H2,1H3/t18-/m0/s1
• InChIKey: FCHULZOJNJOUCN-SFHVURJKSA-N
• XLogP: 3.22
• TPSA: 112.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nn([C@H]2CCCN(C(=O)CO)C2)cc1-c1cc(Sc2ncccc2F)c2c(C#N)cnn2c1.

What is the InChIKey of 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?

The InChIKey is FCHULZOJNJOUCN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22FN7O2S/c1-15-19(13-31(29-15)18-4-3-7-30(12-18)22(34)14-33)16-8-21(35-24-20(25)5-2-6-27-24)23-17(9-26)10-28-32(23)11-16/h2,5-6,8,10-11,13,18,33H,3-4,7,12,14H2,1H3/t18-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 491.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171847907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).