2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane

C25H37FN6OSi — CID 58177408

IUPAC2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane
SMILESCC1(C)CCC([Si](C)(C)CCOCn2ccc3nc(-c4nccnc4F)cnc32)CC(C)(C)N1
InChIInChI=1S/C25H37FN6OSi/c1-24(2)9-7-18(15-25(3,4)31-24)34(5,6)14-13-33-17-32-12-8-19-23(32)29-16-20(30-19)21-22(26)28-11-10-27-21/h8,10-12,16,18,31H,7,9,13-15,17H2,1-6H3
InChIKeyLPYACPOTUQZFBO-UHFFFAOYSA-N
MW484.70 g/mol
LogP5.41
Rot. Bonds7

About 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane

2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane (PubChem CID 58177408) has the molecular formula C25H37FN6OSi and a molecular weight of 484.70 g/mol. Its IUPAC name is 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane.

Molecular Properties

Compound Name2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane
PubChem CID58177408
Molecular FormulaC25H37FN6OSi
Molecular Weight484.70 g/mol
Exact Mass484.28
IUPAC Name2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane
SMILESCC1(C)CCC([Si](C)(C)CCOCn2ccc3nc(-c4nccnc4F)cnc32)CC(C)(C)N1
InChIInChI=1S/C25H37FN6OSi/c1-24(2)9-7-18(15-25(3,4)31-24)34(5,6)14-13-33-17-32-12-8-19-23(32)29-16-20(30-19)21-22(26)28-11-10-27-21/h8,10-12,16,18,31H,7,9,13-15,17H2,1-6H3
InChIKeyLPYACPOTUQZFBO-UHFFFAOYSA-N
XLogP5.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.70
LogP ≤ 55.41
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-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane?
The IUPAC name of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane (CID 58177408) is 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane.
What is the SMILES notation for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane?
The canonical SMILES for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane is CC1(C)CCC([Si](C)(C)CCOCn2ccc3nc(-c4nccnc4F)cnc32)CC(C)(C)N1.
What is the InChIKey of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane?
The InChIKey is LPYACPOTUQZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN6OSi/c1-24(2)9-7-18(15-25(3,4)31-24)34(5,6)14-13-33-17-32-12-8-19-23(32)29-16-20(30-19)21-22(26)28-11-10-27-21/h8,10-12,16,18,31H,7,9,13-15,17H2,1-6H3.
What are the key properties of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane?
2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane has a molecular weight of 484.70 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane is sourced from PubChem (CID 58177408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).