N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C23H29N3O3Si — CID 163252146

IUPACN-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(O)c2)c2ccc(NC(=O)C3CC3)nc21
InChIInChI=1S/C23H29N3O3Si/c1-30(2,3)12-11-29-15-26-14-20(17-5-4-6-18(27)13-17)19-9-10-21(24-22(19)26)25-23(28)16-7-8-16/h4-6,9-10,13-14,16,27H,7-8,11-12,15H2,1-3H3,(H,24,25,28)
InChIKeyXKCDMSPCZIIQMA-UHFFFAOYSA-N
MW423.59 g/mol
LogP5.07
Rot. Bonds8

About N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 163252146) has the molecular formula C23H29N3O3Si and a molecular weight of 423.59 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID163252146
Molecular FormulaC23H29N3O3Si
Molecular Weight423.59 g/mol
Exact Mass423.20
IUPAC NameN-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(O)c2)c2ccc(NC(=O)C3CC3)nc21
InChIInChI=1S/C23H29N3O3Si/c1-30(2,3)12-11-29-15-26-14-20(17-5-4-6-18(27)13-17)19-9-10-21(24-22(19)26)25-23(28)16-7-8-16/h4-6,9-10,13-14,16,27H,7-8,11-12,15H2,1-3H3,(H,24,25,28)
InChIKeyXKCDMSPCZIIQMA-UHFFFAOYSA-N
XLogP5.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 163252146) is N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is C[Si](C)(C)CCOCn1cc(-c2cccc(O)c2)c2ccc(NC(=O)C3CC3)nc21.
What is the InChIKey of N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is XKCDMSPCZIIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3Si/c1-30(2,3)12-11-29-15-26-14-20(17-5-4-6-18(27)13-17)19-9-10-21(24-22(19)26)25-23(28)16-7-8-16/h4-6,9-10,13-14,16,27H,7-8,11-12,15H2,1-3H3,(H,24,25,28).
What are the key properties of N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 423.59 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163252146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).