N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

C15H24IN3OSi — CID 58395851

IUPACN-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1ccnc2c1c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C15H24IN3OSi/c1-5-17-13-6-7-18-15-14(13)12(16)10-19(15)11-20-8-9-21(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,18)
InChIKeyKHAPZODXQUYTJX-UHFFFAOYSA-N
MW417.37 g/mol
LogP4.39
Rot. Bonds7

About N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 58395851) has the molecular formula C15H24IN3OSi and a molecular weight of 417.37 g/mol. Its IUPAC name is N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID58395851
Molecular FormulaC15H24IN3OSi
Molecular Weight417.37 g/mol
Exact Mass417.07
IUPAC NameN-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1ccnc2c1c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C15H24IN3OSi/c1-5-17-13-6-7-18-15-14(13)12(16)10-19(15)11-20-8-9-21(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,18)
InChIKeyKHAPZODXQUYTJX-UHFFFAOYSA-N
XLogP4.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 54.39
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

2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
CID 140891564
tert-butyl (3R,5S)-3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-5-methylpiperidine-1-carboxylate
CID 177243004
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
trimethyl-[2-[(4-methylsulfanyl-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169588
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057
[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
CID 150791440
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 58395851) is N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is CCNc1ccnc2c1c(I)cn2COCC[Si](C)(C)C.
What is the InChIKey of N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is KHAPZODXQUYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3OSi/c1-5-17-13-6-7-18-15-14(13)12(16)10-19(15)11-20-8-9-21(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 417.37 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 58395851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).