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

C25H31N5O4Si — CID 59825029

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ncco2)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H31N5O4Si/c1-29(2)25(32)22(31)19-10-17(12-26-13-19)18-11-20-21(24-27-6-7-34-24)15-30(23(20)28-14-18)16-33-8-9-35(3,4)5/h6-7,10-15,22,31H,8-9,16H2,1-5H3
InChIKeyIPSRQCJJAWTILB-UHFFFAOYSA-N
MW493.64 g/mol
LogP4.19
Rot. Bonds9

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

2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59825029) has the molecular formula C25H31N5O4Si and a molecular weight of 493.64 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-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-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59825029
Molecular FormulaC25H31N5O4Si
Molecular Weight493.64 g/mol
Exact Mass493.21
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ncco2)cn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H31N5O4Si/c1-29(2)25(32)22(31)19-10-17(12-26-13-19)18-11-20-21(24-27-6-7-34-24)15-30(23(20)28-14-18)16-33-8-9-35(3,4)5/h6-7,10-15,22,31H,8-9,16H2,1-5H3
InChIKeyIPSRQCJJAWTILB-UHFFFAOYSA-N
XLogP4.19
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(1,3-oxazol-2-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-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59825029) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-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-(1,3-oxazol-2-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-(1,3-oxazol-2-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(-c2ncco2)cn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is IPSRQCJJAWTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4Si/c1-29(2)25(32)22(31)19-10-17(12-26-13-19)18-11-20-21(24-27-6-7-34-24)15-30(23(20)28-14-18)16-33-8-9-35(3,4)5/h6-7,10-15,22,31H,8-9,16H2,1-5H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 493.64 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59825029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).