6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C18H17ClN4O3 — CID 70717371

IUPAC6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCO)nc2c1=O
InChIInChI=1S/C18H17ClN4O3/c1-2-7-23-15(12-4-3-5-13(19)9-12)11-22-10-14(17(25)20-6-8-24)21-16(22)18(23)26/h2-5,9-11,24H,1,6-8H2,(H,20,25)
InChIKeyWBVCNAQCEIZEMB-UHFFFAOYSA-N
MW372.81 g/mol
LogP1.72
Rot. Bonds6

About 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70717371) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70717371
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCO)nc2c1=O
InChIInChI=1S/C18H17ClN4O3/c1-2-7-23-15(12-4-3-5-13(19)9-12)11-22-10-14(17(25)20-6-8-24)21-16(22)18(23)26/h2-5,9-11,24H,1,6-8H2,(H,20,25)
InChIKeyWBVCNAQCEIZEMB-UHFFFAOYSA-N
XLogP1.72
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70717371) is 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCO)nc2c1=O.
What is the InChIKey of 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WBVCNAQCEIZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-2-7-23-15(12-4-3-5-13(19)9-12)11-22-10-14(17(25)20-6-8-24)21-16(22)18(23)26/h2-5,9-11,24H,1,6-8H2,(H,20,25).
What are the key properties of 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70717371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).