2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C21H20N4O4S — CID 143766243

IUPAC2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)nccn23)cc1O
InChIInChI=1S/C21H20N4O4S/c1-29-19-8-5-15(11-18(19)26)17-13-24-21-20(22-9-10-25(17)21)23-12-14-3-6-16(7-4-14)30(2,27)28/h3-11,13,26H,12H2,1-2H3,(H,22,23)
InChIKeyDOLVAOODOJXDCG-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.13
Rot. Bonds6

About 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 143766243) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID143766243
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)nccn23)cc1O
InChIInChI=1S/C21H20N4O4S/c1-29-19-8-5-15(11-18(19)26)17-13-24-21-20(22-9-10-25(17)21)23-12-14-3-6-16(7-4-14)30(2,27)28/h3-11,13,26H,12H2,1-2H3,(H,22,23)
InChIKeyDOLVAOODOJXDCG-UHFFFAOYSA-N
XLogP3.13
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
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
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
CID 143766220
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205361
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 143766243) is 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)nccn23)cc1O.
What is the InChIKey of 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is DOLVAOODOJXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-29-19-8-5-15(11-18(19)26)17-13-24-21-20(22-9-10-25(17)21)23-12-14-3-6-16(7-4-14)30(2,27)28/h3-11,13,26H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 424.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 143766243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).