[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane

C25H32FN5Si — CID 86686602

IUPAC[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane
SMILESCc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCNCC2)c1
InChIInChI=1S/C25H32FN5Si/c1-19-15-24(23(26)16-20-5-7-22(8-6-20)32(2,3)4)29-31(19)18-21-9-10-28-25(17-21)30-13-11-27-12-14-30/h5-10,15-17,27H,11-14,18H2,1-4H3/b23-16-
InChIKeyPLKLTNAYADLIGR-KQWNVCNZSA-N
MW449.65 g/mol
LogP4.06
Rot. Bonds6

About [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane

[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane (PubChem CID 86686602) has the molecular formula C25H32FN5Si and a molecular weight of 449.65 g/mol. Its IUPAC name is [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane
PubChem CID86686602
Molecular FormulaC25H32FN5Si
Molecular Weight449.65 g/mol
Exact Mass449.24
IUPAC Name[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane
SMILESCc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCNCC2)c1
InChIInChI=1S/C25H32FN5Si/c1-19-15-24(23(26)16-20-5-7-22(8-6-20)32(2,3)4)29-31(19)18-21-9-10-28-25(17-21)30-13-11-27-12-14-30/h5-10,15-17,27H,11-14,18H2,1-4H3/b23-16-
InChIKeyPLKLTNAYADLIGR-KQWNVCNZSA-N
XLogP4.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.65
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane (CID 86686602) is [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane is Cc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCNCC2)c1.
What is the InChIKey of [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane?
The InChIKey is PLKLTNAYADLIGR-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H32FN5Si/c1-19-15-24(23(26)16-20-5-7-22(8-6-20)32(2,3)4)29-31(19)18-21-9-10-28-25(17-21)30-13-11-27-12-14-30/h5-10,15-17,27H,11-14,18H2,1-4H3/b23-16-.
What are the key properties of [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane?
[4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane has a molecular weight of 449.65 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-fluoro-2-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazol-3-yl]ethenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 86686602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).