3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C26H22FN5O2S — CID 167605149

About 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 167605149) has the molecular formula C26H22FN5O2S and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 167605149
• Molecular Formula: C26H22FN5O2S
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.15
• IUPAC Name: 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• SMILES: Cn1cc(-c2ccc3c(-c4cc(CS(=O)(=O)C5CC5)cc(-c5ccc(F)nc5)c4)cnn3c2)cn1
• InChI: InChI=1S/C26H22FN5O2S/c1-31-14-22(12-29-31)19-2-6-25-24(13-30-32(25)15-19)21-9-17(16-35(33,34)23-4-5-23)8-20(10-21)18-3-7-26(27)28-11-18/h2-3,6-15,23H,4-5,16H2,1H3
• InChIKey: WABDSFBLQWOTQH-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 82.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The IUPAC name of 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 167605149) is 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The canonical SMILES for 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cn1cc(-c2ccc3c(-c4cc(CS(=O)(=O)C5CC5)cc(-c5ccc(F)nc5)c4)cnn3c2)cn1.

What is the InChIKey of 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

The InChIKey is WABDSFBLQWOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2S/c1-31-14-22(12-29-31)19-2-6-25-24(13-30-32(25)15-19)21-9-17(16-35(33,34)23-4-5-23)8-20(10-21)18-3-7-26(27)28-11-18/h2-3,6-15,23H,4-5,16H2,1H3.

What are the key properties of 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?

3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 487.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167605149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).