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

C20H19N5O3S — CID 135998280

IUPAC4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C20H19N5O3S/c1-13-18(15-4-6-16(26)7-5-15)25-11-10-22-19(20(25)24-13)23-12-14-2-8-17(9-3-14)29(21,27)28/h2-11,26H,12H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyCDMZGAKOQUVTHT-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.67
Rot. Bonds5

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

4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135998280) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135998280
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C20H19N5O3S/c1-13-18(15-4-6-16(26)7-5-15)25-11-10-22-19(20(25)24-13)23-12-14-2-8-17(9-3-14)29(21,27)28/h2-11,26H,12H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyCDMZGAKOQUVTHT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135998280) is 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is Cc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)cc1.
What is the InChIKey of 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is CDMZGAKOQUVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-18(15-4-6-16(26)7-5-15)25-11-10-22-19(20(25)24-13)23-12-14-2-8-17(9-3-14)29(21,27)28/h2-11,26H,12H2,1H3,(H,22,23)(H2,21,27,28).
What are the key properties of 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135998280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).