5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide

C18H16N6O3S — CID 135998296

IUPAC5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cn1
InChIInChI=1S/C18H16N6O3S/c19-28(26,27)16-6-1-12(9-21-16)10-22-17-18-23-11-15(24(18)8-7-20-17)13-2-4-14(25)5-3-13/h1-9,11,25H,10H2,(H,20,22)(H2,19,26,27)
InChIKeyADDLJPIIUNPWBZ-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.76
Rot. Bonds5

About 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide

5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide (PubChem CID 135998296) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
PubChem CID135998296
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cn1
InChIInChI=1S/C18H16N6O3S/c19-28(26,27)16-6-1-12(9-21-16)10-22-17-18-23-11-15(24(18)8-7-20-17)13-2-4-14(25)5-3-13/h1-9,11,25H,10H2,(H,20,22)(H2,19,26,27)
InChIKeyADDLJPIIUNPWBZ-UHFFFAOYSA-N
XLogP1.76
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide with MolForge

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Related Compounds

4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
CID 143766220
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
4-[[[3-[5-(hydroxymethyl)furan-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160694520
N-[(4-fluorophenyl)methyl]-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126475158
4-[[(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 162191824
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
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
CID 155478922
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
CID 126472154

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide?
The IUPAC name of 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide (CID 135998296) is 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cn1.
What is the InChIKey of 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide?
The InChIKey is ADDLJPIIUNPWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c19-28(26,27)16-6-1-12(9-21-16)10-22-17-18-23-11-15(24(18)8-7-20-17)13-2-4-14(25)5-3-13/h1-9,11,25H,10H2,(H,20,22)(H2,19,26,27).
What are the key properties of 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide?
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide has a molecular weight of 396.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 135998296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).