benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate

C16H15IN4O2 — CID 67432906

IUPACbenzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cnccn2c1I
InChIInChI=1S/C16H15IN4O2/c1-11(14-15(17)21-8-7-18-9-13(21)20-14)19-16(22)23-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyPZGANQKOFYEWMW-UHFFFAOYSA-N
MW422.23 g/mol
LogP3.32
Rot. Bonds4

About benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate

benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate (PubChem CID 67432906) has the molecular formula C16H15IN4O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
PubChem CID67432906
Molecular FormulaC16H15IN4O2
Molecular Weight422.23 g/mol
Exact Mass422.02
IUPAC Namebenzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cnccn2c1I
InChIInChI=1S/C16H15IN4O2/c1-11(14-15(17)21-8-7-18-9-13(21)20-14)19-16(22)23-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyPZGANQKOFYEWMW-UHFFFAOYSA-N
XLogP3.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 71245011
benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
CID 67433032
3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 67432387
benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
CID 58796844
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 58459381
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
benzyl N-[(1S)-1-amino-3-imidazol-1-yl-3-oxopropyl]carbamate
CID 167081038
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
pyridin-4-ylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 90470317

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate (CID 67432906) is benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2cnccn2c1I.
What is the InChIKey of benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The InChIKey is PZGANQKOFYEWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O2/c1-11(14-15(17)21-8-7-18-9-13(21)20-14)19-16(22)23-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22).
What are the key properties of benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate has a molecular weight of 422.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 67432906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).