methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate

C23H27N5O3Si — CID 90205318

IUPACmethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h5-10,13-15H,11-12,16H2,1-4H3
InChIKeyPTOROVVBFPXSKY-UHFFFAOYSA-N
MW449.59 g/mol
LogP4.38
Rot. Bonds8

About methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate

methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 90205318) has the molecular formula C23H27N5O3Si and a molecular weight of 449.59 g/mol. Its IUPAC name is methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID90205318
Molecular FormulaC23H27N5O3Si
Molecular Weight449.59 g/mol
Exact Mass449.19
IUPAC Namemethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h5-10,13-15H,11-12,16H2,1-4H3
InChIKeyPTOROVVBFPXSKY-UHFFFAOYSA-N
XLogP4.38
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.38
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 methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate (CID 90205318) is methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1.
What is the InChIKey of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is PTOROVVBFPXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h5-10,13-15H,11-12,16H2,1-4H3.
What are the key properties of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 449.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 90205318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).