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

C22H20FN7S — CID 171848157

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

4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848157) 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-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848157
• Molecular Formula: C22H20FN7S
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.15
• IUPAC Name: 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1ccc(F)c(Sc2cc(-c3cnn([C@H]4CCCNC4)c3)cn3ncc(C#N)c23)n1
• InChI: InChI=1S/C22H20FN7S/c1-14-4-5-19(23)22(28-14)31-20-7-15(12-30-21(20)16(8-24)9-27-30)17-10-26-29(13-17)18-3-2-6-25-11-18/h4-5,7,9-10,12-13,18,25H,2-3,6,11H2,1H3/t18-/m0/s1
• InChIKey: GBMHJJUTKRNYDD-SFHVURJKSA-N
• XLogP: 3.99
• TPSA: 83.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848157) is 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-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-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccc(F)c(Sc2cc(-c3cnn([C@H]4CCCNC4)c3)cn3ncc(C#N)c23)n1.

What is the InChIKey of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GBMHJJUTKRNYDD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20FN7S/c1-14-4-5-19(23)22(28-14)31-20-7-15(12-30-21(20)16(8-24)9-27-30)17-10-26-29(13-17)18-3-2-6-25-11-18/h4-5,7,9-10,12-13,18,25H,2-3,6,11H2,1H3/t18-/m0/s1.

What are the key properties of 4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-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-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).