6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine

C₁₉H₂₆ClFN₆OSi — CID 167528995

About 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine

6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 167528995) has the molecular formula C₁₉H₂₆ClFN₆OSi and a molecular weight of 437.00 g/mol. Its IUPAC name is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine
• PubChem CID: 167528995
• Molecular Formula: C₁₉H₂₆ClFN₆OSi
• Molecular Weight: 437.00 g/mol
• Exact Mass: 436.16
• IUPAC Name: 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine
• SMILES: Cc1cnn(C)c1-c1cc(Cl)nc(Nc2ccnn2COCC[Si](C)(C)C)c1F
• InChI: InChI=1S/C19H26ClFN6OSi/c1-13-11-23-26(2)18(13)14-10-15(20)24-19(17(14)21)25-16-6-7-22-27(16)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25)
• InChIKey: YPSRDDDWDZRELY-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.00
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?

The IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine (CID 167528995) is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?

The canonical SMILES for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine is Cc1cnn(C)c1-c1cc(Cl)nc(Nc2ccnn2COCC[Si](C)(C)C)c1F.

What is the InChIKey of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?

The InChIKey is YPSRDDDWDZRELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN6OSi/c1-13-11-23-26(2)18(13)14-10-15(20)24-19(17(14)21)25-16-6-7-22-27(16)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25).

What are the key properties of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?

6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 437.00 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 167528995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167528995 — identifiers, structure, computed properties (public domain)

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