4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

C26H29N5OSi — CID 58395951

IUPAC4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(-c3ccnc(N)c3)ccnc21
InChIInChI=1S/C26H29N5OSi/c1-33(2,3)11-10-32-17-31-24(19-4-5-20-15-28-16-21(20)12-19)14-23-22(7-9-30-26(23)31)18-6-8-29-25(27)13-18/h4-9,12-15H,10-11,16-17H2,1-3H3,(H2,27,29)
InChIKeyKLRGPAFGUPIDAD-UHFFFAOYSA-N
MW455.64 g/mol
LogP5.59
Rot. Bonds7

About 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (PubChem CID 58395951) has the molecular formula C26H29N5OSi and a molecular weight of 455.64 g/mol. Its IUPAC name is 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
PubChem CID58395951
Molecular FormulaC26H29N5OSi
Molecular Weight455.64 g/mol
Exact Mass455.21
IUPAC Name4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(-c3ccnc(N)c3)ccnc21
InChIInChI=1S/C26H29N5OSi/c1-33(2,3)11-10-32-17-31-24(19-4-5-20-15-28-16-21(20)12-19)14-23-22(7-9-30-26(23)31)18-6-8-29-25(27)13-18/h4-9,12-15H,10-11,16-17H2,1-3H3,(H2,27,29)
InChIKeyKLRGPAFGUPIDAD-UHFFFAOYSA-N
XLogP5.59
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 55.59
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

6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 73669300
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
N-(2,6-dimethylbenzyl)-2,3-dimethyl-6-(pyridin-2-yl)imidazo[1,2-a]pyridin-8-amine
CID 24890344
N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 66900677
5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10688751
9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
CID 44535685
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 45488666
6-[4-[(Dimethylamino)methyl]phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76321173
4-[2-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzonitrile
CID 145953992
4-[2-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 145961382
6-[8-(2-Methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]isoquinolin-1-amine
CID 156019062
4-(1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-phenylpyrimidin-2-amine
CID 24860825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The IUPAC name of 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (CID 58395951) is 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(-c3ccnc(N)c3)ccnc21.
What is the InChIKey of 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The InChIKey is KLRGPAFGUPIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OSi/c1-33(2,3)11-10-32-17-31-24(19-4-5-20-15-28-16-21(20)12-19)14-23-22(7-9-30-26(23)31)18-6-8-29-25(27)13-18/h4-9,12-15H,10-11,16-17H2,1-3H3,(H2,27,29).
What are the key properties of 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine has a molecular weight of 455.64 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 58395951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).