2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C27H33N5O3Si — CID 59825063

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2cccnc2)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C27H33N5O3Si/c1-31(2)27(34)25(33)22-11-20(14-29-15-22)21-12-23-24(19-7-6-8-28-13-19)17-32(26(23)30-16-21)18-35-9-10-36(3,4)5/h6-8,11-17,25,33H,9-10,18H2,1-5H3
InChIKeySTVRIHXKLKUYBN-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.59
Rot. Bonds9

About 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59825063) has the molecular formula C27H33N5O3Si and a molecular weight of 503.68 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59825063
Molecular FormulaC27H33N5O3Si
Molecular Weight503.68 g/mol
Exact Mass503.24
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2cccnc2)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C27H33N5O3Si/c1-31(2)27(34)25(33)22-11-20(14-29-15-22)21-12-23-24(19-7-6-8-28-13-19)17-32(26(23)30-16-21)18-35-9-10-36(3,4)5/h6-8,11-17,25,33H,9-10,18H2,1-5H3
InChIKeySTVRIHXKLKUYBN-UHFFFAOYSA-N
XLogP4.59
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59825063) is 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2cccnc2)cn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is STVRIHXKLKUYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3Si/c1-31(2)27(34)25(33)22-11-20(14-29-15-22)21-12-23-24(19-7-6-8-28-13-19)17-32(26(23)30-16-21)18-35-9-10-36(3,4)5/h6-8,11-17,25,33H,9-10,18H2,1-5H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 503.68 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59825063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).