4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide

C22H22N6O3S — CID 129202592

IUPAC4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)n2)cc1
InChIInChI=1S/C22H22N6O3S/c1-28(15-4-5-15)32(30,31)16-6-2-13(3-7-16)19-12-26-21(23)20(27-19)18-10-14-8-9-24-22(29)17(14)11-25-18/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3,(H2,23,26)(H,24,29)
InChIKeyHJCJRSPCSZPHGL-UHFFFAOYSA-N
MW450.52 g/mol
LogP1.86
Rot. Bonds5

About 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide

4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 129202592) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID129202592
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)n2)cc1
InChIInChI=1S/C22H22N6O3S/c1-28(15-4-5-15)32(30,31)16-6-2-13(3-7-16)19-12-26-21(23)20(27-19)18-10-14-8-9-24-22(29)17(14)11-25-18/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3,(H2,23,26)(H,24,29)
InChIKeyHJCJRSPCSZPHGL-UHFFFAOYSA-N
XLogP1.86
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.86
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-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide (CID 129202592) is 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is HJCJRSPCSZPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-28(15-4-5-15)32(30,31)16-6-2-13(3-7-16)19-12-26-21(23)20(27-19)18-10-14-8-9-24-22(29)17(14)11-25-18/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3,(H2,23,26)(H,24,29).
What are the key properties of 4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide?
4-[5-amino-6-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 1.86, 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-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 129202592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).