6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one

C18H21N5O3 — CID 70763171

IUPAC6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CCNCC4)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C18H21N5O3/c1-11-8-13(12(2)26-11)15-10-23-9-14(20-16(23)18(25)21(15)3)17(24)22-6-4-19-5-7-22/h8-10,19H,4-7H2,1-3H3
InChIKeyLPKBTZUDQKQDCB-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.96
Rot. Bonds2

About 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one

6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 70763171) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID70763171
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CCNCC4)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C18H21N5O3/c1-11-8-13(12(2)26-11)15-10-23-9-14(20-16(23)18(25)21(15)3)17(24)22-6-4-19-5-7-22/h8-10,19H,4-7H2,1-3H3
InChIKeyLPKBTZUDQKQDCB-UHFFFAOYSA-N
XLogP0.96
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one (CID 70763171) is 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one is Cc1cc(-c2cn3cc(C(=O)N4CCNCC4)nc3c(=O)n2C)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is LPKBTZUDQKQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-8-13(12(2)26-11)15-10-23-9-14(20-16(23)18(25)21(15)3)17(24)22-6-4-19-5-7-22/h8-10,19H,4-7H2,1-3H3.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 355.40 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70763171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).