3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one

C22H31FN4O2Si — CID 161172142

IUPAC3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one
SMILESCCCc1c(F)cnc2cc(Cn3cccc(N)c3=O)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C22H31FN4O2Si/c1-5-7-17-18(23)13-25-20-12-16(14-26-9-6-8-19(24)22(26)28)27(21(17)20)15-29-10-11-30(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15,24H2,1-4H3
InChIKeyFOWBIVDNZOMWDP-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.23
Rot. Bonds9

About 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one

3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one (PubChem CID 161172142) has the molecular formula C22H31FN4O2Si and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one
PubChem CID161172142
Molecular FormulaC22H31FN4O2Si
Molecular Weight430.60 g/mol
Exact Mass430.22
IUPAC Name3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one
SMILESCCCc1c(F)cnc2cc(Cn3cccc(N)c3=O)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C22H31FN4O2Si/c1-5-7-17-18(23)13-25-20-12-16(14-26-9-6-8-19(24)22(26)28)27(21(17)20)15-29-10-11-30(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15,24H2,1-4H3
InChIKeyFOWBIVDNZOMWDP-UHFFFAOYSA-N
XLogP4.23
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[(E,2S)-7-(dimethylamino)-1-[[1-[[6-fluoro-7-(2-methylpropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamate
CID 153402762
[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol
CID 151739550
3-amino-1-[[6-fluoro-4-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 158449354
3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 157467509
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 153402862
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
methyl N-[(E,2S)-7-(dimethylamino)-1-[[1-[[6-fluoro-3-methyl-7-(2-methylpropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamate
CID 153402852
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
CID 105403383
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine
CID 156794344

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one (CID 161172142) is 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one is CCCc1c(F)cnc2cc(Cn3cccc(N)c3=O)n(COCC[Si](C)(C)C)c12.
What is the InChIKey of 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one?
The InChIKey is FOWBIVDNZOMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2Si/c1-5-7-17-18(23)13-25-20-12-16(14-26-9-6-8-19(24)22(26)28)27(21(17)20)15-29-10-11-30(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15,24H2,1-4H3.
What are the key properties of 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one?
3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one has a molecular weight of 430.60 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 161172142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).