tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate

C21H25N5O3 — CID 171680274

IUPACtert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cnc2cnccn12
InChIInChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)23-10-11-25(15-16-7-5-4-6-8-16)19(27)17-13-24-18-14-22-9-12-26(17)18/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,28)
InChIKeyQWFQPHYMZLFZAA-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.90
Rot. Bonds6

About tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate (PubChem CID 171680274) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate
PubChem CID171680274
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Nametert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cnc2cnccn12
InChIInChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)23-10-11-25(15-16-7-5-4-6-8-16)19(27)17-13-24-18-14-22-9-12-26(17)18/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,28)
InChIKeyQWFQPHYMZLFZAA-UHFFFAOYSA-N
XLogP2.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
N-[(4-bromophenyl)methyl]-N-ethylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680280
N,N-dibutylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680276
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
N-benzyl-N-(3-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46988612
chloromethyl 2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 165439269
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
tert-butyl N-(3-benzylsulfanylpropyl)carbamate
CID 71600352
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
benzyl-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoyl]amino]ethyl]carbamic acid
CID 66879237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate (CID 171680274) is tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cnc2cnccn12.
What is the InChIKey of tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is QWFQPHYMZLFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)23-10-11-25(15-16-7-5-4-6-8-16)19(27)17-13-24-18-14-22-9-12-26(17)18/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,28).
What are the key properties of tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 171680274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).