7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one

C13H20IN3O2Si — CID 131742323

IUPAC7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)CNc2ncc(I)cc21
InChIInChI=1S/C13H20IN3O2Si/c1-20(2,3)5-4-19-9-17-11-6-10(14)7-15-13(11)16-8-12(17)18/h6-7H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyRVUJOLURBVLBNF-UHFFFAOYSA-N
MW405.31 g/mol
LogP2.76
Rot. Bonds5

About 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one

7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 131742323) has the molecular formula C13H20IN3O2Si and a molecular weight of 405.31 g/mol. Its IUPAC name is 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID131742323
Molecular FormulaC13H20IN3O2Si
Molecular Weight405.31 g/mol
Exact Mass405.04
IUPAC Name7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)CNc2ncc(I)cc21
InChIInChI=1S/C13H20IN3O2Si/c1-20(2,3)5-4-19-9-17-11-6-10(14)7-15-13(11)16-8-12(17)18/h6-7H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyRVUJOLURBVLBNF-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
CID 169114168
3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 87925267
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 169114152
(6aS)-2,3-dimethoxy-5-(2-trimethylsilylethoxymethyl)-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-6,8,11-trione
CID 58658821
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
CID 151313382
2-[2-[4-iodo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]-3H-isoindol-1-one
CID 175809964
3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
CID 176705952
methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 11486531

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 131742323) is 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one is C[Si](C)(C)CCOCN1C(=O)CNc2ncc(I)cc21.
What is the InChIKey of 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is RVUJOLURBVLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O2Si/c1-20(2,3)5-4-19-9-17-11-6-10(14)7-15-13(11)16-8-12(17)18/h6-7H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 405.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 131742323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).