4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide

C20H19N5O3S — CID 135998317

IUPAC4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide
SMILESCC(Nc1nccn2c(-c3ccc(O)cc3)cnc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N5O3S/c1-13(14-4-8-17(9-5-14)29(21,27)28)24-19-20-23-12-18(25(20)11-10-22-19)15-2-6-16(26)7-3-15/h2-13,26H,1H3,(H,22,24)(H2,21,27,28)
InChIKeyFJGRGSCGPBAWKF-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.92
Rot. Bonds5

About 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide

4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide (PubChem CID 135998317) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide
PubChem CID135998317
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide
SMILESCC(Nc1nccn2c(-c3ccc(O)cc3)cnc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N5O3S/c1-13(14-4-8-17(9-5-14)29(21,27)28)24-19-20-23-12-18(25(20)11-10-22-19)15-2-6-16(26)7-3-15/h2-13,26H,1H3,(H,22,24)(H2,21,27,28)
InChIKeyFJGRGSCGPBAWKF-UHFFFAOYSA-N
XLogP2.92
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide (CID 135998317) is 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide is CC(Nc1nccn2c(-c3ccc(O)cc3)cnc12)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is FJGRGSCGPBAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13(14-4-8-17(9-5-14)29(21,27)28)24-19-20-23-12-18(25(20)11-10-22-19)15-2-6-16(26)7-3-15/h2-13,26H,1H3,(H,22,24)(H2,21,27,28).
What are the key properties of 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide?
4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 135998317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).