7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide

C21H29ClFN3O2Si — CID 175851318

IUPAC7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCc1c(C(=O)NC23CC(F)(C2)C3)n(COCC[Si](C)(C)C)c2c(Cl)nccc12
InChIInChI=1S/C21H29ClFN3O2Si/c1-5-14-15-6-7-24-18(22)16(15)26(13-28-8-9-29(2,3)4)17(14)19(27)25-21-10-20(23,11-21)12-21/h6-7H,5,8-13H2,1-4H3,(H,25,27)
InChIKeyFKLVLGRQKRJKNS-UHFFFAOYSA-N
MW438.02 g/mol
LogP4.94
Rot. Bonds8

About 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide

7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 175851318) has the molecular formula C21H29ClFN3O2Si and a molecular weight of 438.02 g/mol. Its IUPAC name is 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID175851318
Molecular FormulaC21H29ClFN3O2Si
Molecular Weight438.02 g/mol
Exact Mass437.17
IUPAC Name7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCc1c(C(=O)NC23CC(F)(C2)C3)n(COCC[Si](C)(C)C)c2c(Cl)nccc12
InChIInChI=1S/C21H29ClFN3O2Si/c1-5-14-15-6-7-24-18(22)16(15)26(13-28-8-9-29(2,3)4)17(14)19(27)25-21-10-20(23,11-21)12-21/h6-7H,5,8-13H2,1-4H3,(H,25,27)
InChIKeyFKLVLGRQKRJKNS-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.02
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide (CID 175851318) is 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide is CCc1c(C(=O)NC23CC(F)(C2)C3)n(COCC[Si](C)(C)C)c2c(Cl)nccc12.
What is the InChIKey of 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FKLVLGRQKRJKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClFN3O2Si/c1-5-14-15-6-7-24-18(22)16(15)26(13-28-8-9-29(2,3)4)17(14)19(27)25-21-10-20(23,11-21)12-21/h6-7H,5,8-13H2,1-4H3,(H,25,27).
What are the key properties of 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 438.02 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 175851318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).