benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate

C34H35BrN8O4S2 — CID 161301120

IUPACbenzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate
SMILESCSc1nc(CCNC(=O)OCc2ccccc2)cn2c(Br)cnc12.CSc1nc(CCNC(=O)OCc2ccccc2)cn2ccnc12
InChIInChI=1S/C17H17BrN4O2S.C17H18N4O2S/c1-25-16-15-20-9-14(18)22(15)10-13(21-16)7-8-19-17(23)24-11-12-5-3-2-4-6-12;1-24-16-15-18-9-10-21(15)11-14(20-16)7-8-19-17(22)23-12-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23);2-6,9-11H,7-8,12H2,1H3,(H,19,22)
InChIKeyVHQCNLDPTPUUHP-UHFFFAOYSA-N
MW763.74 g/mol
LogP6.60
Rot. Bonds12

About benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate

benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate (PubChem CID 161301120) has the molecular formula C34H35BrN8O4S2 and a molecular weight of 763.74 g/mol. Its IUPAC name is benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate
PubChem CID161301120
Molecular FormulaC34H35BrN8O4S2
Molecular Weight763.74 g/mol
Exact Mass762.14
IUPAC Namebenzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate
SMILESCSc1nc(CCNC(=O)OCc2ccccc2)cn2c(Br)cnc12.CSc1nc(CCNC(=O)OCc2ccccc2)cn2ccnc12
InChIInChI=1S/C17H17BrN4O2S.C17H18N4O2S/c1-25-16-15-20-9-14(18)22(15)10-13(21-16)7-8-19-17(23)24-11-12-5-3-2-4-6-12;1-24-16-15-18-9-10-21(15)11-14(20-16)7-8-19-17(22)23-12-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23);2-6,9-11H,7-8,12H2,1H3,(H,19,22)
InChIKeyVHQCNLDPTPUUHP-UHFFFAOYSA-N
XLogP6.60
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.74
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate with MolForge

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Related Compounds

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benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
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CID 67828631

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate (CID 161301120) is benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate is CSc1nc(CCNC(=O)OCc2ccccc2)cn2c(Br)cnc12.CSc1nc(CCNC(=O)OCc2ccccc2)cn2ccnc12.
What is the InChIKey of benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate?
The InChIKey is VHQCNLDPTPUUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2S.C17H18N4O2S/c1-25-16-15-20-9-14(18)22(15)10-13(21-16)7-8-19-17(23)24-11-12-5-3-2-4-6-12;1-24-16-15-18-9-10-21(15)11-14(20-16)7-8-19-17(22)23-12-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23);2-6,9-11H,7-8,12H2,1H3,(H,19,22).
What are the key properties of benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate?
benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate has a molecular weight of 763.74 g/mol, XLogP of 6.60, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate is sourced from PubChem (CID 161301120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).