4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide

C23H24N6O3S — CID 123290768

IUPAC4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN1Cc2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1
InChIInChI=1S/C23H24N6O3S/c1-28-13-16-11-15(5-10-19(16)23(30)27-28)21-22(24)25-12-20(26-21)14-3-8-18(9-4-14)33(31,32)29(2)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H2,24,25)(H,27,30)
InChIKeyUWNVGPZKOPBSPP-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.27
Rot. Bonds5

About 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide

4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 123290768) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID123290768
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN1Cc2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1
InChIInChI=1S/C23H24N6O3S/c1-28-13-16-11-15(5-10-19(16)23(30)27-28)21-22(24)25-12-20(26-21)14-3-8-18(9-4-14)33(31,32)29(2)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H2,24,25)(H,27,30)
InChIKeyUWNVGPZKOPBSPP-UHFFFAOYSA-N
XLogP2.27
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide (CID 123290768) is 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide is CN1Cc2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1.
What is the InChIKey of 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is UWNVGPZKOPBSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-28-13-16-11-15(5-10-19(16)23(30)27-28)21-22(24)25-12-20(26-21)14-3-8-18(9-4-14)33(31,32)29(2)17-6-7-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H2,24,25)(H,27,30).
What are the key properties of 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(3-methyl-1-oxo-2,4-dihydrophthalazin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 123290768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).