[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane

C20H31FN4O4Si — CID 168935755

IUPAC[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane
SMILESCOc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C20H31FN4O4Si/c1-13(2)30(14(3)4,15(5)6)29-12-19(24-11-17(10-23-24)25(26)27)18-8-16(21)9-22-20(18)28-7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyGHKIMSZVNOHLST-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.12
Rot. Bonds10

About [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane

[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane (PubChem CID 168935755) has the molecular formula C20H31FN4O4Si and a molecular weight of 438.58 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane
PubChem CID168935755
Molecular FormulaC20H31FN4O4Si
Molecular Weight438.58 g/mol
Exact Mass438.21
IUPAC Name[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane
SMILESCOc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C20H31FN4O4Si/c1-13(2)30(14(3)4,15(5)6)29-12-19(24-11-17(10-23-24)25(26)27)18-8-16(21)9-22-20(18)28-7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyGHKIMSZVNOHLST-UHFFFAOYSA-N
XLogP5.12
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane (CID 168935755) is [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane is COc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane?
The InChIKey is GHKIMSZVNOHLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O4Si/c1-13(2)30(14(3)4,15(5)6)29-12-19(24-11-17(10-23-24)25(26)27)18-8-16(21)9-22-20(18)28-7/h8-11,13-15,19H,12H2,1-7H3.
What are the key properties of [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane?
[2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane has a molecular weight of 438.58 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxy-3-pyridinyl)-2-(4-nitropyrazol-1-yl)ethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 168935755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).