N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine

C24H34N6O2Si — CID 142547769

IUPACN,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cc2c(-c3cnn4ncccc34)ccnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C24H34N6O2Si/c1-28(2)11-12-31-17-19-15-21-20(22-16-27-30-23(22)7-6-9-26-30)8-10-25-24(21)29(19)18-32-13-14-33(3,4)5/h6-10,15-16H,11-14,17-18H2,1-5H3
InChIKeyBPGRCIZPBOQCHU-UHFFFAOYSA-N
MW466.66 g/mol
LogP4.14
Rot. Bonds11

About N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine

N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine (PubChem CID 142547769) has the molecular formula C24H34N6O2Si and a molecular weight of 466.66 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine
PubChem CID142547769
Molecular FormulaC24H34N6O2Si
Molecular Weight466.66 g/mol
Exact Mass466.25
IUPAC NameN,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cc2c(-c3cnn4ncccc34)ccnc2n1COCC[Si](C)(C)C
InChIInChI=1S/C24H34N6O2Si/c1-28(2)11-12-31-17-19-15-21-20(22-16-27-30-23(22)7-6-9-26-30)8-10-25-24(21)29(19)18-32-13-14-33(3,4)5/h6-10,15-16H,11-14,17-18H2,1-5H3
InChIKeyBPGRCIZPBOQCHU-UHFFFAOYSA-N
XLogP4.14
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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 N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine (CID 142547769) is N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine is CN(C)CCOCc1cc2c(-c3cnn4ncccc34)ccnc2n1COCC[Si](C)(C)C.
What is the InChIKey of N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine?
The InChIKey is BPGRCIZPBOQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2Si/c1-28(2)11-12-31-17-19-15-21-20(22-16-27-30-23(22)7-6-9-26-30)8-10-25-24(21)29(19)18-32-13-14-33(3,4)5/h6-10,15-16H,11-14,17-18H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine has a molecular weight of 466.66 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-pyrazolo[1,5-b]pyridazin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]methoxy]ethanamine is sourced from PubChem (CID 142547769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).