FRKWXNOWYJTHGN-ITYLOYPMSA-N

Name: FRKWXNOWYJTHGN-ITYLOYPMSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₆FN₅Si — CID 86686603

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 FRKWXNOWYJTHGN-ITYLOYPMSA-N

FRKWXNOWYJTHGN-ITYLOYPMSA-N (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	FRKWXNOWYJTHGN-ITYLOYPMSA-N
PubChem CID	86686603
Molecular Formula	C₂₈H₃₆FN₅Si
Molecular Weight	489.72 g/mol
Exact Mass	489.27
IUPAC Name	[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]-trimethylsilane
SMILES	Cc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
InChI	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-
InChIKey	FRKWXNOWYJTHGN-ITYLOYPMSA-N
XLogP	4.93
TPSA	37.19 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.72
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of FRKWXNOWYJTHGN-ITYLOYPMSA-N?

The IUPAC name of FRKWXNOWYJTHGN-ITYLOYPMSA-N (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 FRKWXNOWYJTHGN-ITYLOYPMSA-N?

The canonical SMILES for FRKWXNOWYJTHGN-ITYLOYPMSA-N is Cc1cc(/C(F)=C/c2ccc([Si](C)(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1.

What is the InChIKey of FRKWXNOWYJTHGN-ITYLOYPMSA-N?

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 FRKWXNOWYJTHGN-ITYLOYPMSA-N?

FRKWXNOWYJTHGN-ITYLOYPMSA-N 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 FRKWXNOWYJTHGN-ITYLOYPMSA-N is sourced from PubChem (CID 86686603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86686603 — identifiers, structure, computed properties (public domain)

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