6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide

C19H21ClN4O2 — CID 70782699

IUPAC6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1
InChIInChI=1S/C19H21ClN4O2/c1-4-12(5-2)21-18(25)15-10-24-11-16(13-8-6-7-9-14(13)20)23(3)19(26)17(24)22-15/h6-12H,4-5H2,1-3H3,(H,21,25)
InChIKeyWJGRXZVQURYELD-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.27
Rot. Bonds5

About 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70782699) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70782699
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1
InChIInChI=1S/C19H21ClN4O2/c1-4-12(5-2)21-18(25)15-10-24-11-16(13-8-6-7-9-14(13)20)23(3)19(26)17(24)22-15/h6-12H,4-5H2,1-3H3,(H,21,25)
InChIKeyWJGRXZVQURYELD-UHFFFAOYSA-N
XLogP3.27
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70782699) is 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide is CCC(CC)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1.
What is the InChIKey of 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WJGRXZVQURYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-4-12(5-2)21-18(25)15-10-24-11-16(13-8-6-7-9-14(13)20)23(3)19(26)17(24)22-15/h6-12H,4-5H2,1-3H3,(H,21,25).
What are the key properties of 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70782699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).