6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine

C24H27ClN4OSi — CID 90041803

IUPAC6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(N)nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21
InChIInChI=1S/C24H27ClN4OSi/c1-31(2,3)14-13-30-16-29-21-15-20(25)22(27-23(21)28-24(29)26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H2,26,27,28)
InChIKeyWCMFIJAHCPRYSX-UHFFFAOYSA-N
MW451.05 g/mol
LogP6.31
Rot. Bonds7

About 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine

6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 90041803) has the molecular formula C24H27ClN4OSi and a molecular weight of 451.05 g/mol. Its IUPAC name is 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID90041803
Molecular FormulaC24H27ClN4OSi
Molecular Weight451.05 g/mol
Exact Mass450.16
IUPAC Name6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(N)nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21
InChIInChI=1S/C24H27ClN4OSi/c1-31(2,3)14-13-30-16-29-21-15-20(25)22(27-23(21)28-24(29)26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H2,26,27,28)
InChIKeyWCMFIJAHCPRYSX-UHFFFAOYSA-N
XLogP6.31
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.05
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine (CID 90041803) is 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine is C[Si](C)(C)CCOCn1c(N)nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is WCMFIJAHCPRYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4OSi/c1-31(2,3)14-13-30-16-29-21-15-20(25)22(27-23(21)28-24(29)26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H2,26,27,28).
What are the key properties of 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine?
6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 451.05 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 90041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).