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

C24H34N4O3Si — CID 58382211

IUPAC[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12
InChIInChI=1S/C24H34N4O3Si/c1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24/h6-9,15H,10-14,16,25H2,1-5H3
InChIKeyJSXNBTROPNHYSO-UHFFFAOYSA-N
MW454.65 g/mol
LogP4.40
Rot. Bonds8

About [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine

[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine (PubChem CID 58382211) has the molecular formula C24H34N4O3Si and a molecular weight of 454.65 g/mol. Its IUPAC name is [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine
PubChem CID58382211
Molecular FormulaC24H34N4O3Si
Molecular Weight454.65 g/mol
Exact Mass454.24
IUPAC Name[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12
InChIInChI=1S/C24H34N4O3Si/c1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24/h6-9,15H,10-14,16,25H2,1-5H3
InChIKeyJSXNBTROPNHYSO-UHFFFAOYSA-N
XLogP4.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.40
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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Related Compounds

6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538809
2-Methyl-1-[3-(5-phenyl-tetrahydro-furan-2-yloxy)-propyl]-1H-imidazo[4,5-c]pyridine
CID 44284380
1-{3-[5-(4-Fluoro-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-2-methyl-1H-imidazo[4,5-c]pyridine
CID 44284551
6,9-Epoxy-6H,8H-pyrido(4',3':4,5)imidazo(2,1-c)oxazepine, 9,10-dihydro-6-phenyl-
CID 3059095
7,10-Epoxy-6H,10H-pyrido(3',4:4,5)imidazo(2,1-c)(1,4)oxazepine, 7,8-dihydro-10-phenyl-
CID 3059096
9-[3-(2-Phenyl-1,3-dioxolan-2-yl)propyl]adenine
CID 129754805
9-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]purin-6-amine
CID 129903082
2-[4-(Diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
CID 59651846
6-(5-(1,3-dioxolan-2-yl)-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CID 66611486
3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 66692317
6-Benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
CID 67091800
2-[4-(2-Fluoroethoxymethyl)phenyl]-N,N-dimethyl-imidazo[1,2-a]pyridin-7-amine
CID 86282703

Frequently Asked Questions

What is the IUPAC name of [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine?
The IUPAC name of [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine (CID 58382211) is [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine.
What is the SMILES notation for [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine?
The canonical SMILES for [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine is Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12.
What is the InChIKey of [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine?
The InChIKey is JSXNBTROPNHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3Si/c1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24/h6-9,15H,10-14,16,25H2,1-5H3.
What are the key properties of [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine?
[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine has a molecular weight of 454.65 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine is sourced from PubChem (CID 58382211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).