3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

C17H21ClFN5OSi — CID 90963759

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2F)c2c(N)cccc21
InChIInChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(19)9-21-17(18)22-15/h4-6,9H,7-8,10,20H2,1-3H3
InChIKeyPOCFEKPCZIQCNT-UHFFFAOYSA-N
MW393.93 g/mol
LogP4.18
Rot. Bonds6

About 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (PubChem CID 90963759) has the molecular formula C17H21ClFN5OSi and a molecular weight of 393.93 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
PubChem CID90963759
Molecular FormulaC17H21ClFN5OSi
Molecular Weight393.93 g/mol
Exact Mass393.12
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2F)c2c(N)cccc21
InChIInChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(19)9-21-17(18)22-15/h4-6,9H,7-8,10,20H2,1-3H3
InChIKeyPOCFEKPCZIQCNT-UHFFFAOYSA-N
XLogP4.18
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime
CID 17747343
Pyrazolo[1,5-b]pyridazine deriv. 18
CID 6539450
5-[(E)-ethoxyiminomethyl]-4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrimidine-4,6-diamine
CID 17747139
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-2-methylpropoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747208
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-propan-2-yloxyiminomethyl]pyrimidine-4,6-diamine
CID 17747281
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673095
2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649405
N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine
CID 11637631
4-(1-methylindazol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 70689144
4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 70697457
5-[[5-fluoro-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzimidazol-2-one
CID 126962268
US20240174647, Example 197
CID 171597492

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (CID 90963759) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is C[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2F)c2c(N)cccc21.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The InChIKey is POCFEKPCZIQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(19)9-21-17(18)22-15/h4-6,9H,7-8,10,20H2,1-3H3.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine has a molecular weight of 393.93 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is sourced from PubChem (CID 90963759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).