tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate

C19H23FN4O3 — CID 87331179

IUPACtert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C19H23FN4O3/c1-19(2,3)27-18(26)24(10-11-25)23-9-8-22-12-16(21-17(22)13-23)14-4-6-15(20)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3
InChIKeyKIAUJRIXTDVCJX-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.86
Rot. Bonds4

About tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate

tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate (PubChem CID 87331179) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate
PubChem CID87331179
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Nametert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C19H23FN4O3/c1-19(2,3)27-18(26)24(10-11-25)23-9-8-22-12-16(21-17(22)13-23)14-4-6-15(20)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3
InChIKeyKIAUJRIXTDVCJX-UHFFFAOYSA-N
XLogP2.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate (CID 87331179) is tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate is CC(C)(C)OC(=O)N(CC=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate?
The InChIKey is KIAUJRIXTDVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-19(2,3)27-18(26)24(10-11-25)23-9-8-22-12-16(21-17(22)13-23)14-4-6-15(20)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3.
What are the key properties of tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate?
tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate has a molecular weight of 374.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 87331179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).