2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane

C21H27ClN4O2Si — CID 90398023

IUPAC2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(Oc2ccc3nn(COCC[Si](C)(C)C)c(-c4cc(Cl)ncn4)c3c2)CC1
InChIInChI=1S/C21H27ClN4O2Si/c1-21(7-8-21)28-15-5-6-17-16(11-15)20(18-12-19(22)24-13-23-18)26(25-17)14-27-9-10-29(2,3)4/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyHVSXNRSVCRWNSN-UHFFFAOYSA-N
MW431.01 g/mol
LogP5.39
Rot. Bonds8

About 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398023) has the molecular formula C21H27ClN4O2Si and a molecular weight of 431.01 g/mol. Its IUPAC name is 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID90398023
Molecular FormulaC21H27ClN4O2Si
Molecular Weight431.01 g/mol
Exact Mass430.16
IUPAC Name2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(Oc2ccc3nn(COCC[Si](C)(C)C)c(-c4cc(Cl)ncn4)c3c2)CC1
InChIInChI=1S/C21H27ClN4O2Si/c1-21(7-8-21)28-15-5-6-17-16(11-15)20(18-12-19(22)24-13-23-18)26(25-17)14-27-9-10-29(2,3)4/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyHVSXNRSVCRWNSN-UHFFFAOYSA-N
XLogP5.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.01
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
CID 136640945
2-[[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398222
tert-butyl 4-fluoro-4-[[(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-2-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 165137314
3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159426350
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
phenyl-[2-(2-trimethylsilylethoxymethyl)indazol-3-yl]methanol
CID 11595556

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398023) is 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane is CC1(Oc2ccc3nn(COCC[Si](C)(C)C)c(-c4cc(Cl)ncn4)c3c2)CC1.
What is the InChIKey of 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HVSXNRSVCRWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2Si/c1-21(7-8-21)28-15-5-6-17-16(11-15)20(18-12-19(22)24-13-23-18)26(25-17)14-27-9-10-29(2,3)4/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 431.01 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).