XMNQSGVHFIBLMB-UHFFFAOYSA-N

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

C₂₅H₃₀FN₅OSi — CID 69350053

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

IUPAC2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(C)cn3)c2)n1

InChIInChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3

InChIKeyXMNQSGVHFIBLMB-UHFFFAOYSA-N

MW463.63 g/mol

LogP5.77

Rot. Bonds8

About XMNQSGVHFIBLMB-UHFFFAOYSA-N

XMNQSGVHFIBLMB-UHFFFAOYSA-N (PubChem CID 69350053) has the molecular formula C₂₅H₃₀FN₅OSi and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name	XMNQSGVHFIBLMB-UHFFFAOYSA-N
PubChem CID	69350053
Molecular Formula	C₂₅H₃₀FN₅OSi
Molecular Weight	463.63 g/mol
Exact Mass	463.22
IUPAC Name	2-[[4-[4-fluoro-3-(1-methylimidazol-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(-c3cn(C)cn3)c2)n1
InChI	InChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3
InChIKey	XMNQSGVHFIBLMB-UHFFFAOYSA-N
XLogP	5.77
TPSA	57.76 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 XMNQSGVHFIBLMB-UHFFFAOYSA-N?

The IUPAC name of XMNQSGVHFIBLMB-UHFFFAOYSA-N (CID 69350053) is 2-[[4-[4-fluoro-3-(1-methylimidazol-4-yl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for XMNQSGVHFIBLMB-UHFFFAOYSA-N?

The canonical SMILES for XMNQSGVHFIBLMB-UHFFFAOYSA-N is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(C)cn3)c2)n1.

What is the InChIKey of XMNQSGVHFIBLMB-UHFFFAOYSA-N?

The InChIKey is XMNQSGVHFIBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5OSi/c1-18-7-6-8-23(28-18)25-21(14-31(29-25)17-32-11-12-33(3,4)5)19-9-10-22(26)20(13-19)24-15-30(2)16-27-24/h6-10,13-16H,11-12,17H2,1-5H3.

What are the key properties of XMNQSGVHFIBLMB-UHFFFAOYSA-N?

XMNQSGVHFIBLMB-UHFFFAOYSA-N has a molecular weight of 463.63 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for XMNQSGVHFIBLMB-UHFFFAOYSA-N is sourced from PubChem (CID 69350053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 69350053 — identifiers, structure, computed properties (public domain)

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