3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C20H26N10OSSi — CID 59503788

IUPAC3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(CN=[N+]=[N-])ns2)n1
InChIInChI=1S/C20H26N10OSSi/c1-14-11-30-17(15-8-24-29(12-15)13-31-5-6-33(2,3)4)10-22-20(30)19(25-14)26-18-7-16(27-32-18)9-23-28-21/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,25,26)
InChIKeyNBYIALQCACHGPF-UHFFFAOYSA-N
MW482.65 g/mol
LogP5.22
Rot. Bonds10

About 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 59503788) has the molecular formula C20H26N10OSSi and a molecular weight of 482.65 g/mol. Its IUPAC name is 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID59503788
Molecular FormulaC20H26N10OSSi
Molecular Weight482.65 g/mol
Exact Mass482.18
IUPAC Name3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(CN=[N+]=[N-])ns2)n1
InChIInChI=1S/C20H26N10OSSi/c1-14-11-30-17(15-8-24-29(12-15)13-31-5-6-33(2,3)4)10-22-20(30)19(25-14)26-18-7-16(27-32-18)9-23-28-21/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,25,26)
InChIKeyNBYIALQCACHGPF-UHFFFAOYSA-N
XLogP5.22
TPSA130.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 59503788) is 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(CN=[N+]=[N-])ns2)n1.
What is the InChIKey of 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is NBYIALQCACHGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N10OSSi/c1-14-11-30-17(15-8-24-29(12-15)13-31-5-6-33(2,3)4)10-22-20(30)19(25-14)26-18-7-16(27-32-18)9-23-28-21/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,25,26).
What are the key properties of 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 482.65 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-N-[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 59503788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).