6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

C18H17ClN4O2 — CID 70707946

IUPAC6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C18H17ClN4O2/c1-20-17(24)14-9-22-10-15(12-3-2-4-13(19)7-12)23(8-11-5-6-11)18(25)16(22)21-14/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24)
InChIKeyVJBPPVBEQAOPST-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.59
Rot. Bonds4

About 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70707946) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70707946
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C18H17ClN4O2/c1-20-17(24)14-9-22-10-15(12-3-2-4-13(19)7-12)23(8-11-5-6-11)18(25)16(22)21-14/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24)
InChIKeyVJBPPVBEQAOPST-UHFFFAOYSA-N
XLogP2.59
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (CID 70707946) is 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is CNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1.
What is the InChIKey of 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VJBPPVBEQAOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-20-17(24)14-9-22-10-15(12-3-2-4-13(19)7-12)23(8-11-5-6-11)18(25)16(22)21-14/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24).
What are the key properties of 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-7-(cyclopropylmethyl)-N-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70707946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).