2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane

C23H34N6O2Si — CID 90398380

IUPAC2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(N4CCN(C)CC4)ncn3)c2c1
InChIInChI=1S/C23H34N6O2Si/c1-27-8-10-28(11-9-27)22-15-21(24-16-25-22)23-19-14-18(30-2)6-7-20(19)26-29(23)17-31-12-13-32(3,4)5/h6-7,14-16H,8-13,17H2,1-5H3
InChIKeyFBOCVSYEPBGSTA-UHFFFAOYSA-N
MW454.65 g/mol
LogP3.57
Rot. Bonds8

About 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398380) has the molecular formula C23H34N6O2Si and a molecular weight of 454.65 g/mol. Its IUPAC name is 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID90398380
Molecular FormulaC23H34N6O2Si
Molecular Weight454.65 g/mol
Exact Mass454.25
IUPAC Name2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(N4CCN(C)CC4)ncn3)c2c1
InChIInChI=1S/C23H34N6O2Si/c1-27-8-10-28(11-9-27)22-15-21(24-16-25-22)23-19-14-18(30-2)6-7-20(19)26-29(23)17-31-12-13-32(3,4)5/h6-7,14-16H,8-13,17H2,1-5H3
InChIKeyFBOCVSYEPBGSTA-UHFFFAOYSA-N
XLogP3.57
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398380) is 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane is COc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(N4CCN(C)CC4)ncn3)c2c1.
What is the InChIKey of 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FBOCVSYEPBGSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2Si/c1-27-8-10-28(11-9-27)22-15-21(24-16-25-22)23-19-14-18(30-2)6-7-20(19)26-29(23)17-31-12-13-32(3,4)5/h6-7,14-16H,8-13,17H2,1-5H3.
What are the key properties of 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 454.65 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).