2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C30H39FN6O2Si — CID 69350531

About 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69350531) has the molecular formula C30H39FN6O2Si and a molecular weight of 562.77 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 69350531
• Molecular Formula: C30H39FN6O2Si
• Molecular Weight: 562.77 g/mol
• Exact Mass: 562.29
• IUPAC Name: 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cnn(CCN4CCOCC4)c3)c2)n1
• InChI: InChI=1S/C30H39FN6O2Si/c1-23-6-5-7-29(33-23)30-27(21-37(34-30)22-39-16-17-40(2,3)4)24-8-9-28(31)26(18-24)25-19-32-36(20-25)11-10-35-12-14-38-15-13-35/h5-9,18-21H,10-17,22H2,1-4H3
• InChIKey: OKFBXGGJACGVKZ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 70.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.77
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69350531) is 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cnn(CCN4CCOCC4)c3)c2)n1.

What is the InChIKey of 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is OKFBXGGJACGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN6O2Si/c1-23-6-5-7-29(33-23)30-27(21-37(34-30)22-39-16-17-40(2,3)4)24-8-9-28(31)26(18-24)25-19-32-36(20-25)11-10-35-12-14-38-15-13-35/h5-9,18-21H,10-17,22H2,1-4H3.

What are the key properties of 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 562.77 g/mol, XLogP of 5.57, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-fluoro-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69350531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).