2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid

C58H60F4N8O10Si2 — CID 157100616

IUPAC2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid
SMILESCn1cc(-c2ccc3c(ncn3CC(=O)O)c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O.Cn1cc(-c2ccc3ncn(CC(=O)O)c3c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O
InChIInChI=1S/2C29H30F2N4O5Si/c1-33-14-21(19-9-10-34(27(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-26(32-16-35(23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31;1-33-14-21(19-9-10-34(26(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-27(35(16-32-23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31/h2*5-10,13-14,16H,11-12,15,17H2,1-4H3,(H,36,37)
InChIKeyAFSKQPNIYVCUJW-UHFFFAOYSA-N
MW1161.33 g/mol
LogP11.65
Rot. Bonds20

About 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid

2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid (PubChem CID 157100616) has the molecular formula C58H60F4N8O10Si2 and a molecular weight of 1161.33 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid
PubChem CID157100616
Molecular FormulaC58H60F4N8O10Si2
Molecular Weight1161.33 g/mol
Exact Mass1160.39
IUPAC Name2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid
SMILESCn1cc(-c2ccc3c(ncn3CC(=O)O)c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O.Cn1cc(-c2ccc3ncn(CC(=O)O)c3c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O
InChIInChI=1S/2C29H30F2N4O5Si/c1-33-14-21(19-9-10-34(27(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-26(32-16-35(23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31;1-33-14-21(19-9-10-34(26(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-27(35(16-32-23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31/h2*5-10,13-14,16H,11-12,15,17H2,1-4H3,(H,36,37)
InChIKeyAFSKQPNIYVCUJW-UHFFFAOYSA-N
XLogP11.65
TPSA201.02 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.33
LogP ≤ 511.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid (CID 157100616) is 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid is Cn1cc(-c2ccc3c(ncn3CC(=O)O)c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O.Cn1cc(-c2ccc3ncn(CC(=O)O)c3c2Oc2ccc(F)cc2F)c2ccn(COCC[Si](C)(C)C)c2c1=O.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid?
The InChIKey is AFSKQPNIYVCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30F2N4O5Si/c1-33-14-21(19-9-10-34(27(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-26(32-16-35(23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31;1-33-14-21(19-9-10-34(26(19)29(33)38)17-39-11-12-41(2,3)4)20-6-7-23-27(35(16-32-23)15-25(36)37)28(20)40-24-8-5-18(30)13-22(24)31/h2*5-10,13-14,16H,11-12,15,17H2,1-4H3,(H,36,37).
What are the key properties of 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid?
2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid has a molecular weight of 1161.33 g/mol, XLogP of 11.65, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 157100616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).