tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate

C19H28ClN5O2Si — CID 20824102

IUPACtert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate
SMILESCc1cnc2c(NCCNC(=O)OC(C)(C)C)nc(C#C[Si](C)(C)C)c(Cl)n12
InChIInChI=1S/C19H28ClN5O2Si/c1-13-12-23-17-16(21-9-10-22-18(26)27-19(2,3)4)24-14(15(20)25(13)17)8-11-28(5,6)7/h12H,9-10H2,1-7H3,(H,21,24)(H,22,26)
InChIKeyUASJKHUHFMYTHH-UHFFFAOYSA-N
MW422.01 g/mol
LogP3.86
Rot. Bonds4

About tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate (PubChem CID 20824102) has the molecular formula C19H28ClN5O2Si and a molecular weight of 422.01 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate
PubChem CID20824102
Molecular FormulaC19H28ClN5O2Si
Molecular Weight422.01 g/mol
Exact Mass421.17
IUPAC Nametert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate
SMILESCc1cnc2c(NCCNC(=O)OC(C)(C)C)nc(C#C[Si](C)(C)C)c(Cl)n12
InChIInChI=1S/C19H28ClN5O2Si/c1-13-12-23-17-16(21-9-10-22-18(26)27-19(2,3)4)24-14(15(20)25(13)17)8-11-28(5,6)7/h12H,9-10H2,1-7H3,(H,21,24)(H,22,26)
InChIKeyUASJKHUHFMYTHH-UHFFFAOYSA-N
XLogP3.86
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.01
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(12-methyl-4-trimethylstannyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)amino]ethyl]carbamate
CID 20824055
tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate
CID 20824100
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tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
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tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate (CID 20824102) is tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate is Cc1cnc2c(NCCNC(=O)OC(C)(C)C)nc(C#C[Si](C)(C)C)c(Cl)n12.
What is the InChIKey of tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate?
The InChIKey is UASJKHUHFMYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O2Si/c1-13-12-23-17-16(21-9-10-22-18(26)27-19(2,3)4)24-14(15(20)25(13)17)8-11-28(5,6)7/h12H,9-10H2,1-7H3,(H,21,24)(H,22,26).
What are the key properties of tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate has a molecular weight of 422.01 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate is sourced from PubChem (CID 20824102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).