GWGXRXYTJYPUSH-INIZCTEOSA-N

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

C₂₂H₂₈ClFN₄OSi — CID 86659386

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

IUPAC6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine

SMILESC[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Cl)n1)c1ccc(F)cc1

InChIInChI=1S/C22H28ClFN4OSi/c1-16(17-5-7-20(24)8-6-17)26-22-12-18(11-21(23)27-22)19-13-25-28(14-19)15-29-9-10-30(2,3)4/h5-8,11-14,16H,9-10,15H2,1-4H3,(H,26,27)/t16-/m0/s1

InChIKeyGWGXRXYTJYPUSH-INIZCTEOSA-N

MW447.03 g/mol

LogP6.22

Rot. Bonds9

About GWGXRXYTJYPUSH-INIZCTEOSA-N

GWGXRXYTJYPUSH-INIZCTEOSA-N (PubChem CID 86659386) has the molecular formula C₂₂H₂₈ClFN₄OSi and a molecular weight of 447.03 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name	GWGXRXYTJYPUSH-INIZCTEOSA-N
PubChem CID	86659386
Molecular Formula	C₂₂H₂₈ClFN₄OSi
Molecular Weight	447.03 g/mol
Exact Mass	446.17
IUPAC Name	6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine
SMILES	C[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Cl)n1)c1ccc(F)cc1
InChI	InChI=1S/C22H28ClFN4OSi/c1-16(17-5-7-20(24)8-6-17)26-22-12-18(11-21(23)27-22)19-13-25-28(14-19)15-29-9-10-30(2,3)4/h5-8,11-14,16H,9-10,15H2,1-4H3,(H,26,27)/t16-/m0/s1
InChIKey	GWGXRXYTJYPUSH-INIZCTEOSA-N
XLogP	6.22
TPSA	51.97 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.03
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of GWGXRXYTJYPUSH-INIZCTEOSA-N?

The IUPAC name of GWGXRXYTJYPUSH-INIZCTEOSA-N (CID 86659386) is 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for GWGXRXYTJYPUSH-INIZCTEOSA-N?

The canonical SMILES for GWGXRXYTJYPUSH-INIZCTEOSA-N is C[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Cl)n1)c1ccc(F)cc1.

What is the InChIKey of GWGXRXYTJYPUSH-INIZCTEOSA-N?

The InChIKey is GWGXRXYTJYPUSH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28ClFN4OSi/c1-16(17-5-7-20(24)8-6-17)26-22-12-18(11-21(23)27-22)19-13-25-28(14-19)15-29-9-10-30(2,3)4/h5-8,11-14,16H,9-10,15H2,1-4H3,(H,26,27)/t16-/m0/s1.

What are the key properties of GWGXRXYTJYPUSH-INIZCTEOSA-N?

GWGXRXYTJYPUSH-INIZCTEOSA-N has a molecular weight of 447.03 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GWGXRXYTJYPUSH-INIZCTEOSA-N is sourced from PubChem (CID 86659386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86659386 — identifiers, structure, computed properties (public domain)

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