benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

C23H22N8O2S — CID 58873835

IUPACbenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(Nc4ccns4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C23H22N8O2S/c1-30-13-17(11-26-30)19-12-25-22-21(29-20-8-10-27-34-20)28-18(14-31(19)22)7-9-24-23(32)33-15-16-5-3-2-4-6-16/h2-6,8,10-14H,7,9,15H2,1H3,(H,24,32)(H,28,29)
InChIKeyPRJCCYCKIGMUED-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.80
Rot. Bonds8

About benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 58873835) has the molecular formula C23H22N8O2S and a molecular weight of 474.55 g/mol. Its IUPAC name is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID58873835
Molecular FormulaC23H22N8O2S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(Nc4ccns4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C23H22N8O2S/c1-30-13-17(11-26-30)19-12-25-22-21(29-20-8-10-27-34-20)28-18(14-31(19)22)7-9-24-23(32)33-15-16-5-3-2-4-6-16/h2-6,8,10-14H,7,9,15H2,1H3,(H,24,32)(H,28,29)
InChIKeyPRJCCYCKIGMUED-UHFFFAOYSA-N
XLogP3.80
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 58873835) is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is Cn1cc(-c2cnc3c(Nc4ccns4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1.
What is the InChIKey of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is PRJCCYCKIGMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2S/c1-30-13-17(11-26-30)19-12-25-22-21(29-20-8-10-27-34-20)28-18(14-31(19)22)7-9-24-23(32)33-15-16-5-3-2-4-6-16/h2-6,8,10-14H,7,9,15H2,1H3,(H,24,32)(H,28,29).
What are the key properties of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 474.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 58873835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).