tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane

C27H29N3OSSi — CID 66623904

IUPACtert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1
InChIInChI=1S/C27H29N3OSSi/c1-27(2,3)33(4,5)31-17-23-13-22(18-32-23)20-10-11-26-29-25(16-30(26)15-20)21-12-19-8-6-7-9-24(19)28-14-21/h6-16,18H,17H2,1-5H3
InChIKeyINTWXLOPYZQAAQ-UHFFFAOYSA-N
MW471.70 g/mol
LogP7.80
Rot. Bonds5

About tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane

tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane (PubChem CID 66623904) has the molecular formula C27H29N3OSSi and a molecular weight of 471.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane
PubChem CID66623904
Molecular FormulaC27H29N3OSSi
Molecular Weight471.70 g/mol
Exact Mass471.18
IUPAC Nametert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1
InChIInChI=1S/C27H29N3OSSi/c1-27(2,3)33(4,5)31-17-23-13-22(18-32-23)20-10-11-26-29-25(16-30(26)15-20)21-12-19-8-6-7-9-24(19)28-14-21/h6-16,18H,17H2,1-5H3
InChIKeyINTWXLOPYZQAAQ-UHFFFAOYSA-N
XLogP7.80
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.70
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane (CID 66623904) is tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1.
What is the InChIKey of tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane?
The InChIKey is INTWXLOPYZQAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OSSi/c1-27(2,3)33(4,5)31-17-23-13-22(18-32-23)20-10-11-26-29-25(16-30(26)15-20)21-12-19-8-6-7-9-24(19)28-14-21/h6-16,18H,17H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane has a molecular weight of 471.70 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methoxy]silane is sourced from PubChem (CID 66623904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).