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

C22H20FN7S — CID 171848225

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

6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848225) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848225
• Molecular Formula: C22H20FN7S
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.15
• IUPAC Name: 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC1(C)C[C@H](n2cc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)cn2)CN1
• InChI: InChI=1S/C22H20FN7S/c1-22(2)7-17(11-26-22)29-13-16(10-27-29)14-6-19(31-21-18(23)4-3-5-25-21)20-15(8-24)9-28-30(20)12-14/h3-6,9-10,12-13,17,26H,7,11H2,1-2H3/t17-/m0/s1
• InChIKey: FQJOITGJKVGJFO-KRWDZBQOSA-N
• XLogP: 4.07
• 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	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848225) is 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-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-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC1(C)C[C@H](n2cc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)cn2)CN1.

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

The InChIKey is FQJOITGJKVGJFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20FN7S/c1-22(2)7-17(11-26-22)29-13-16(10-27-29)14-6-19(31-21-18(23)4-3-5-25-21)20-15(8-24)9-28-30(20)12-14/h3-6,9-10,12-13,17,26H,7,11H2,1-2H3/t17-/m0/s1.

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

6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 433.52 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).