2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol

C23H31N5O3Si — CID 123321121

IUPAC2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nn(CCO)cc3c2)nc1
InChIInChI=1S/C23H31N5O3Si/c1-32(2,3)13-12-30-17-26-21(8-9-24)18-4-7-23(25-15-18)31-20-5-6-22-19(14-20)16-28(27-22)10-11-29/h4-7,9,14-16,24,29H,8,10-13,17H2,1-3H3/b24-9+,26-21?
InChIKeySJFUBJVJZKVBHY-RWMFAOCGSA-N
MW453.62 g/mol
LogP4.36
Rot. Bonds12

About 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol

2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol (PubChem CID 123321121) has the molecular formula C23H31N5O3Si and a molecular weight of 453.62 g/mol. Its IUPAC name is 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol
PubChem CID123321121
Molecular FormulaC23H31N5O3Si
Molecular Weight453.62 g/mol
Exact Mass453.22
IUPAC Name2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nn(CCO)cc3c2)nc1
InChIInChI=1S/C23H31N5O3Si/c1-32(2,3)13-12-30-17-26-21(8-9-24)18-4-7-23(25-15-18)31-20-5-6-22-19(14-20)16-28(27-22)10-11-29/h4-7,9,14-16,24,29H,8,10-13,17H2,1-3H3/b24-9+,26-21?
InChIKeySJFUBJVJZKVBHY-RWMFAOCGSA-N
XLogP4.36
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
CID 123608925
1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
CID 123306956
2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
CID 150095031
trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane
CID 90398670
3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine
CID 154488509
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
CID 87523960
2-ethyl-5-methoxyindazole
CID 10856015
1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
CID 142876508
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
3-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methylamino]propanenitrile
CID 123594014
dimethyl (E)-2-[[2-(2-hydroxyethyl)indazol-5-yl]amino]but-2-enedioate
CID 168567594

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol?
The IUPAC name of 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol (CID 123321121) is 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol is [H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nn(CCO)cc3c2)nc1.
What is the InChIKey of 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol?
The InChIKey is SJFUBJVJZKVBHY-RWMFAOCGSA-N. The full InChI is InChI=1S/C23H31N5O3Si/c1-32(2,3)13-12-30-17-26-21(8-9-24)18-4-7-23(25-15-18)31-20-5-6-22-19(14-20)16-28(27-22)10-11-29/h4-7,9,14-16,24,29H,8,10-13,17H2,1-3H3/b24-9+,26-21?.
What are the key properties of 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol?
2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol has a molecular weight of 453.62 g/mol, XLogP of 4.36, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol is sourced from PubChem (CID 123321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).