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

C22H18FN7O2S — CID 171848074

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

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848074) has the molecular formula C22H18FN7O2S and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-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)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848074
• Molecular Formula: C22H18FN7O2S
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.12
• IUPAC Name: 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cnn([C@H]4CCN(C(=O)CO)C4)c3)cc(Sc3ncccc3F)c12
• InChI: InChI=1S/C22H18FN7O2S/c23-18-2-1-4-25-22(18)33-19-6-14(10-30-21(19)15(7-24)8-27-30)16-9-26-29(11-16)17-3-5-28(12-17)20(32)13-31/h1-2,4,6,8-11,17,31H,3,5,12-13H2/t17-/m0/s1
• InChIKey: CCJDGZZJELZCTF-KRWDZBQOSA-N
• XLogP: 2.52
• TPSA: 112.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	2.52
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)pyrrolidin-3-yl]pyrazol-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)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848074) is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-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)pyrrolidin-3-yl]pyrazol-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)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn([C@H]4CCN(C(=O)CO)C4)c3)cc(Sc3ncccc3F)c12.

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

The InChIKey is CCJDGZZJELZCTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18FN7O2S/c23-18-2-1-4-25-22(18)33-19-6-14(10-30-21(19)15(7-24)8-27-30)16-9-26-29(11-16)17-3-5-28(12-17)20(32)13-31/h1-2,4,6,8-11,17,31H,3,5,12-13H2/t17-/m0/s1.

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

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 463.50 g/mol, XLogP of 2.52, 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)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).