2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane

C24H24N6O — CID 143925930

IUPAC2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane
SMILESCC.Cc1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(N)n4)c3C)ncc2c1
InChIInChI=1S/C22H18N6O.C2H6/c1-13-6-7-17-15(10-13)11-25-28(22(17)29)19-5-3-4-16(14(19)2)18-12-27-9-8-24-21(27)20(23)26-18;1-2/h3-12H,1-2H3,(H2,23,26);1-2H3
InChIKeyPJYKHFBZSMTUPF-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.32
Rot. Bonds2

About 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane

2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane (PubChem CID 143925930) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane.

Molecular Properties

Compound Name2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane
PubChem CID143925930
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane
SMILESCC.Cc1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(N)n4)c3C)ncc2c1
InChIInChI=1S/C22H18N6O.C2H6/c1-13-6-7-17-15(10-13)11-25-28(22(17)29)19-5-3-4-16(14(19)2)18-12-27-9-8-24-21(27)20(23)26-18;1-2/h3-12H,1-2H3,(H2,23,26);1-2H3
InChIKeyPJYKHFBZSMTUPF-UHFFFAOYSA-N
XLogP4.32
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane?
The IUPAC name of 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane (CID 143925930) is 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane.
What is the SMILES notation for 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane?
The canonical SMILES for 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane is CC.Cc1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(N)n4)c3C)ncc2c1.
What is the InChIKey of 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane?
The InChIKey is PJYKHFBZSMTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O.C2H6/c1-13-6-7-17-15(10-13)11-25-28(22(17)29)19-5-3-4-16(14(19)2)18-12-27-9-8-24-21(27)20(23)26-18;1-2/h3-12H,1-2H3,(H2,23,26);1-2H3.
What are the key properties of 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane?
2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane has a molecular weight of 412.50 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-aminoimidazo[1,2-a]pyrazin-6-yl)-2-methylphenyl]-6-methylphthalazin-1-one;ethane is sourced from PubChem (CID 143925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).