3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C20H19N5O4S — CID 135931682

IUPAC3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O
InChIInChI=1S/C20H19N5O4S/c1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyDEMRYVRRMGXMJM-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.37
Rot. Bonds6

About 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135931682) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135931682
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O
InChIInChI=1S/C20H19N5O4S/c1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyDEMRYVRRMGXMJM-UHFFFAOYSA-N
XLogP2.37
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 158806734
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 161280250
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205361
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 158890061
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135931682) is 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.
What is the InChIKey of 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is DEMRYVRRMGXMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28).
What are the key properties of 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 425.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135931682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).