1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one

C21H25ClF2N4O3Si — CID 168951617

IUPAC1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
SMILESC=C(C)COc1ccnc2c1n(-c1nc(F)c(Cl)cc1F)c(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C21H25ClF2N4O3Si/c1-13(2)11-31-16-6-7-25-20-17(16)28(19-15(23)10-14(22)18(24)26-19)21(29)27(20)12-30-8-9-32(3,4)5/h6-7,10H,1,8-9,11-12H2,2-5H3
InChIKeyFQQULGJJLYWHRM-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.78
Rot. Bonds9

About 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one

1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 168951617) has the molecular formula C21H25ClF2N4O3Si and a molecular weight of 482.99 g/mol. Its IUPAC name is 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID168951617
Molecular FormulaC21H25ClF2N4O3Si
Molecular Weight482.99 g/mol
Exact Mass482.14
IUPAC Name1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
SMILESC=C(C)COc1ccnc2c1n(-c1nc(F)c(Cl)cc1F)c(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C21H25ClF2N4O3Si/c1-13(2)11-31-16-6-7-25-20-17(16)28(19-15(23)10-14(22)18(24)26-19)21(29)27(20)12-30-8-9-32(3,4)5/h6-7,10H,1,8-9,11-12H2,2-5H3
InChIKeyFQQULGJJLYWHRM-UHFFFAOYSA-N
XLogP4.78
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one (CID 168951617) is 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one is C=C(C)COc1ccnc2c1n(-c1nc(F)c(Cl)cc1F)c(=O)n2COCC[Si](C)(C)C.
What is the InChIKey of 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is FQQULGJJLYWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF2N4O3Si/c1-13(2)11-31-16-6-7-25-20-17(16)28(19-15(23)10-14(22)18(24)26-19)21(29)27(20)12-30-8-9-32(3,4)5/h6-7,10H,1,8-9,11-12H2,2-5H3.
What are the key properties of 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 482.99 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,6-difluoro-2-pyridinyl)-7-(2-methylprop-2-enoxy)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 168951617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).