[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane

C28H36FN5Si — CID 86686603

IUPAC[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane
SMILESCc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C28H36FN5Si/c1-21-17-27(26(29)18-22-5-9-25(10-6-22)35(2,3)4)31-34(21)20-23-11-12-30-28(19-23)33-15-13-32(14-16-33)24-7-8-24/h5-6,9-12,17-19,24H,7-8,13-16,20H2,1-4H3/b26-18-
InChIKeyFRKWXNOWYJTHGN-ITYLOYPMSA-N
MW489.72 g/mol
LogP4.93
Rot. Bonds7

About [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane

[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane (PubChem CID 86686603) has the molecular formula C28H36FN5Si and a molecular weight of 489.72 g/mol. Its IUPAC name is [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane
PubChem CID86686603
Molecular FormulaC28H36FN5Si
Molecular Weight489.72 g/mol
Exact Mass489.27
IUPAC Name[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane
SMILESCc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C28H36FN5Si/c1-21-17-27(26(29)18-22-5-9-25(10-6-22)35(2,3)4)31-34(21)20-23-11-12-30-28(19-23)33-15-13-32(14-16-33)24-7-8-24/h5-6,9-12,17-19,24H,7-8,13-16,20H2,1-4H3/b26-18-
InChIKeyFRKWXNOWYJTHGN-ITYLOYPMSA-N
XLogP4.93
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.72
LogP ≤ 54.93
H-Bond Donors ≤ 50
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-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane (CID 86686603) is [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane is Cc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1.
What is the InChIKey of [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane?
The InChIKey is FRKWXNOWYJTHGN-ITYLOYPMSA-N. The full InChI is InChI=1S/C28H36FN5Si/c1-21-17-27(26(29)18-22-5-9-25(10-6-22)35(2,3)4)31-34(21)20-23-11-12-30-28(19-23)33-15-13-32(14-16-33)24-7-8-24/h5-6,9-12,17-19,24H,7-8,13-16,20H2,1-4H3/b26-18-.
What are the key properties of [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane?
[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane has a molecular weight of 489.72 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 86686603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).