[4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane

C28H35N7OSi — CID 67377842

About [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane

[4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane (PubChem CID 67377842) has the molecular formula C28H35N7OSi and a molecular weight of 513.72 g/mol. Its IUPAC name is [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane
• PubChem CID: 67377842
• Molecular Formula: C28H35N7OSi
• Molecular Weight: 513.72 g/mol
• Exact Mass: 513.27
• IUPAC Name: [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane
• SMILES: Cc1cc(-c2nc(-c3ccc([Si](C)(C)C)cc3)no2)nn1Cc1ccc(N2CCN(C3CC3)CC2)nc1
• InChI: InChI=1S/C28H35N7OSi/c1-20-17-25(28-30-27(32-36-28)22-6-10-24(11-7-22)37(2,3)4)31-35(20)19-21-5-12-26(29-18-21)34-15-13-33(14-16-34)23-8-9-23/h5-7,10-12,17-18,23H,8-9,13-16,19H2,1-4H3
• InChIKey: QGSOONKHWNFGED-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 76.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.72
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane (CID 67377842) is [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane is Cc1cc(-c2nc(-c3ccc([Si](C)(C)C)cc3)no2)nn1Cc1ccc(N2CCN(C3CC3)CC2)nc1.

What is the InChIKey of [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane?

The InChIKey is QGSOONKHWNFGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7OSi/c1-20-17-25(28-30-27(32-36-28)22-6-10-24(11-7-22)37(2,3)4)31-35(20)19-21-5-12-26(29-18-21)34-15-13-33(14-16-34)23-8-9-23/h5-7,10-12,17-18,23H,8-9,13-16,19H2,1-4H3.

What are the key properties of [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane?

[4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane has a molecular weight of 513.72 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 67377842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).