7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide

C37H46N8OSSi — CID 66791295

IUPAC7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(/c1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3c(cnn3COCC[Si](C)(C)C)c1)cn2CCC1CCCNC1)N(C)C
InChIInChI=1S/C37H46N8OSSi/c1-43(2)36(38)37-40-22-31-34(42-37)30(23-44(31)14-12-25-9-8-13-39-20-25)27-17-28-21-41-45(24-46-15-16-48(3,4)5)35(28)29(18-27)33-19-26-10-6-7-11-32(26)47-33/h6-7,10-11,17-19,21-23,25,38-39H,8-9,12-16,20,24H2,1-5H3/b38-36-
InChIKeyFAFDYXJKGOEWLW-WASYMBJWSA-N
MW678.98 g/mol
LogP7.92
Rot. Bonds11

About 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide

7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide (PubChem CID 66791295) has the molecular formula C37H46N8OSSi and a molecular weight of 678.98 g/mol. Its IUPAC name is 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide
PubChem CID66791295
Molecular FormulaC37H46N8OSSi
Molecular Weight678.98 g/mol
Exact Mass678.33
IUPAC Name7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(/c1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3c(cnn3COCC[Si](C)(C)C)c1)cn2CCC1CCCNC1)N(C)C
InChIInChI=1S/C37H46N8OSSi/c1-43(2)36(38)37-40-22-31-34(42-37)30(23-44(31)14-12-25-9-8-13-39-20-25)27-17-28-21-41-45(24-46-15-16-48(3,4)5)35(28)29(18-27)33-19-26-10-6-7-11-32(26)47-33/h6-7,10-11,17-19,21-23,25,38-39H,8-9,12-16,20,24H2,1-5H3/b38-36-
InChIKeyFAFDYXJKGOEWLW-WASYMBJWSA-N
XLogP7.92
TPSA96.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.98
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide 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 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The IUPAC name of 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide (CID 66791295) is 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide.
What is the SMILES notation for 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The canonical SMILES for 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide is [H]/N=C(/c1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3c(cnn3COCC[Si](C)(C)C)c1)cn2CCC1CCCNC1)N(C)C.
What is the InChIKey of 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The InChIKey is FAFDYXJKGOEWLW-WASYMBJWSA-N. The full InChI is InChI=1S/C37H46N8OSSi/c1-43(2)36(38)37-40-22-31-34(42-37)30(23-44(31)14-12-25-9-8-13-39-20-25)27-17-28-21-41-45(24-46-15-16-48(3,4)5)35(28)29(18-27)33-19-26-10-6-7-11-32(26)47-33/h6-7,10-11,17-19,21-23,25,38-39H,8-9,12-16,20,24H2,1-5H3/b38-36-.
What are the key properties of 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide has a molecular weight of 678.98 g/mol, XLogP of 7.92, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(1-benzothiophen-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N,N-dimethyl-5-(2-piperidin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2-carboximidamide is sourced from PubChem (CID 66791295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).