6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

C19H21ClN4O2 — CID 70729541

IUPAC6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(C)CNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1
InChIInChI=1S/C19H21ClN4O2/c1-4-12(2)9-21-18(25)15-10-24-11-16(13-7-5-6-8-14(13)20)23(3)19(26)17(24)22-15/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)
InChIKeyPXQXFDFUTPELIJ-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.13
Rot. Bonds5

About 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70729541) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70729541
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(C)CNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1
InChIInChI=1S/C19H21ClN4O2/c1-4-12(2)9-21-18(25)15-10-24-11-16(13-7-5-6-8-14(13)20)23(3)19(26)17(24)22-15/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)
InChIKeyPXQXFDFUTPELIJ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (CID 70729541) is 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is CCC(C)CNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1.
What is the InChIKey of 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PXQXFDFUTPELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-4-12(2)9-21-18(25)15-10-24-11-16(13-7-5-6-8-14(13)20)23(3)19(26)17(24)22-15/h5-8,10-12H,4,9H2,1-3H3,(H,21,25).
What are the key properties of 6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.13, 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-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70729541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).