1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine

C23H27N5OSi — CID 67552684

IUPAC1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine
SMILESC[Si](C)(C)CCOCn1nc(C=Nn2cccc2)c2c(-c3ccccn3)cccc21
InChIInChI=1S/C23H27N5OSi/c1-30(2,3)16-15-29-18-28-22-11-8-9-19(20-10-4-5-12-24-20)23(22)21(26-28)17-25-27-13-6-7-14-27/h4-14,17H,15-16,18H2,1-3H3
InChIKeyUZDRLDNRWCNNRF-UHFFFAOYSA-N
MW417.59 g/mol
LogP5.09
Rot. Bonds8

About 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine

1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine (PubChem CID 67552684) has the molecular formula C23H27N5OSi and a molecular weight of 417.59 g/mol. Its IUPAC name is 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine.

Molecular Properties

Compound Name1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine
PubChem CID67552684
Molecular FormulaC23H27N5OSi
Molecular Weight417.59 g/mol
Exact Mass417.20
IUPAC Name1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine
SMILESC[Si](C)(C)CCOCn1nc(C=Nn2cccc2)c2c(-c3ccccn3)cccc21
InChIInChI=1S/C23H27N5OSi/c1-30(2,3)16-15-29-18-28-22-11-8-9-19(20-10-4-5-12-24-20)23(22)21(26-28)17-25-27-13-6-7-14-27/h4-14,17H,15-16,18H2,1-3H3
InChIKeyUZDRLDNRWCNNRF-UHFFFAOYSA-N
XLogP5.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 55.09
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine?
The IUPAC name of 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine (CID 67552684) is 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine.
What is the SMILES notation for 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine?
The canonical SMILES for 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine is C[Si](C)(C)CCOCn1nc(C=Nn2cccc2)c2c(-c3ccccn3)cccc21.
What is the InChIKey of 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine?
The InChIKey is UZDRLDNRWCNNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OSi/c1-30(2,3)16-15-29-18-28-22-11-8-9-19(20-10-4-5-12-24-20)23(22)21(26-28)17-25-27-13-6-7-14-27/h4-14,17H,15-16,18H2,1-3H3.
What are the key properties of 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine?
1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine has a molecular weight of 417.59 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine is sourced from PubChem (CID 67552684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).