[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid

C23H30N4O5Si — CID 67361206

IUPAC[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid
SMILESCC1(c2ccc(-c3cc4nc(NC(=O)O)cnc4n3COCC[Si](C)(C)C)cc2)OCCO1
InChIInChI=1S/C23H30N4O5Si/c1-23(31-9-10-32-23)17-7-5-16(6-8-17)19-13-18-21(24-14-20(25-18)26-22(28)29)27(19)15-30-11-12-33(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,25,26)(H,28,29)
InChIKeyDRFMSSMQALUFRB-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.72
Rot. Bonds8

About [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid

[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid (PubChem CID 67361206) has the molecular formula C23H30N4O5Si and a molecular weight of 470.60 g/mol. Its IUPAC name is [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid
PubChem CID67361206
Molecular FormulaC23H30N4O5Si
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid
SMILESCC1(c2ccc(-c3cc4nc(NC(=O)O)cnc4n3COCC[Si](C)(C)C)cc2)OCCO1
InChIInChI=1S/C23H30N4O5Si/c1-23(31-9-10-32-23)17-7-5-16(6-8-17)19-13-18-21(24-14-20(25-18)26-22(28)29)27(19)15-30-11-12-33(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,25,26)(H,28,29)
InChIKeyDRFMSSMQALUFRB-UHFFFAOYSA-N
XLogP4.72
TPSA107.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
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 [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid?
The IUPAC name of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid (CID 67361206) is [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid.
What is the SMILES notation for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid?
The canonical SMILES for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid is CC1(c2ccc(-c3cc4nc(NC(=O)O)cnc4n3COCC[Si](C)(C)C)cc2)OCCO1.
What is the InChIKey of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid?
The InChIKey is DRFMSSMQALUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5Si/c1-23(31-9-10-32-23)17-7-5-16(6-8-17)19-13-18-21(24-14-20(25-18)26-22(28)29)27(19)15-30-11-12-33(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,25,26)(H,28,29).
What are the key properties of [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid?
[6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid has a molecular weight of 470.60 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid is sourced from PubChem (CID 67361206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).