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

C57H51N15O10S2 — CID 160694520

IUPAC4-[[[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
SMILESCc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)o4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c([N+](=O)[O-])c4)cnc23)cc1
InChIInChI=1S/C20H18N4O.C19H16N6O5S.C18H17N5O4S/c1-14-2-4-15(5-3-14)12-22-19-20-23-13-18(24(20)11-10-21-19)16-6-8-17(25)9-7-16;20-31(29,30)14-4-1-12(2-5-14)10-22-18-19-23-11-16(24(19)8-7-21-18)13-3-6-17(26)15(9-13)25(27)28;19-28(25,26)14-4-1-12(2-5-14)9-21-17-18-22-10-15(23(18)8-7-20-17)16-6-3-13(11-24)27-16/h2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,21,22)(H2,20,29,30);1-8,10,24H,9,11H2,(H,20,21)(H2,19,25,26)
InChIKeyRPVFYMIIEOTUHD-UHFFFAOYSA-N
MW1170.26 g/mol
LogP8.03
Rot. Bonds16

About 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

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 (PubChem CID 160694520) has the molecular formula C57H51N15O10S2 and a molecular weight of 1170.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[[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
PubChem CID160694520
Molecular FormulaC57H51N15O10S2
Molecular Weight1170.26 g/mol
Exact Mass1169.34
IUPAC Name4-[[[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
SMILESCc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)o4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c([N+](=O)[O-])c4)cnc23)cc1
InChIInChI=1S/C20H18N4O.C19H16N6O5S.C18H17N5O4S/c1-14-2-4-15(5-3-14)12-22-19-20-23-13-18(24(20)11-10-21-19)16-6-8-17(25)9-7-16;20-31(29,30)14-4-1-12(2-5-14)10-22-18-19-23-11-16(24(19)8-7-21-18)13-3-6-17(26)15(9-13)25(27)28;19-28(25,26)14-4-1-12(2-5-14)9-21-17-18-22-10-15(23(18)8-7-20-17)16-6-3-13(11-24)27-16/h2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,21,22)(H2,20,29,30);1-8,10,24H,9,11H2,(H,20,21)(H2,19,25,26)
InChIKeyRPVFYMIIEOTUHD-UHFFFAOYSA-N
XLogP8.03
TPSA363.95 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001170.26
LogP ≤ 58.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296
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-[[(3,6-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-[[[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
4-(8-anilinoimidazo[1,2-a]pyrazin-3-yl)phenol;N-[3-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;[4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol;N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3,4-dihydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 159162693
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)o4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c([N+](=O)[O-])c4)cnc23)cc1.
What is the InChIKey of 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?
The InChIKey is RPVFYMIIEOTUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C19H16N6O5S.C18H17N5O4S/c1-14-2-4-15(5-3-14)12-22-19-20-23-13-18(24(20)11-10-21-19)16-6-8-17(25)9-7-16;20-31(29,30)14-4-1-12(2-5-14)10-22-18-19-23-11-16(24(19)8-7-21-18)13-3-6-17(26)15(9-13)25(27)28;19-28(25,26)14-4-1-12(2-5-14)9-21-17-18-22-10-15(23(18)8-7-20-17)16-6-3-13(11-24)27-16/h2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,21,22)(H2,20,29,30);1-8,10,24H,9,11H2,(H,20,21)(H2,19,25,26).
What are the key properties of 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?
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 has a molecular weight of 1170.26 g/mol, XLogP of 8.03, 16 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160694520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).