N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C121H111FN28O16S3 — CID 159879665

IUPACN-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCCNC(C)=O)nccn23)cc1OC.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1
InChIInChI=1S/C24H21N5O3S.C20H17N5O2.C20H18N4O3S.C20H18N4O2.C19H16FN5O3S.C18H21N5O3/c1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;20-15-9-13(3-6-17(15)26)16-11-24-19-18(22-7-8-25(16)19)23-10-12-1-4-14(5-2-12)29(21,27)28;1-12(24)19-6-7-20-17-18-22-11-14(23(18)9-8-21-17)13-4-5-15(25-2)16(10-13)26-3/h2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);4-5,8-11H,6-7H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyNTJGLRZSXFSMAP-UHFFFAOYSA-N
MW2328.60 g/mol
LogP17.93
Rot. Bonds33

About N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 159879665) has the molecular formula C121H111FN28O16S3 and a molecular weight of 2328.60 g/mol. Its IUPAC name is N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound NameN-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID159879665
Molecular FormulaC121H111FN28O16S3
Molecular Weight2328.60 g/mol
Exact Mass2326.79
IUPAC NameN-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCCNC(C)=O)nccn23)cc1OC.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1
InChIInChI=1S/C24H21N5O3S.C20H17N5O2.C20H18N4O3S.C20H18N4O2.C19H16FN5O3S.C18H21N5O3/c1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;20-15-9-13(3-6-17(15)26)16-11-24-19-18(22-7-8-25(16)19)23-10-12-1-4-14(5-2-12)29(21,27)28;1-12(24)19-6-7-20-17-18-22-11-14(23(18)9-8-21-17)13-4-5-15(25-2)16(10-13)26-3/h2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);4-5,8-11H,6-7H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyNTJGLRZSXFSMAP-UHFFFAOYSA-N
XLogP17.93
TPSA597.81 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002328.60
LogP ≤ 517.93
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 159879665) is N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCCNC(C)=O)nccn23)cc1OC.COc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1ccc2cc(-c3cnc4c(NCc5ccc(S(N)(=O)=O)cc5)nccn34)ccc2c1.CS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1.
What is the InChIKey of N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is NTJGLRZSXFSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C20H17N5O2.C20H18N4O3S.C20H18N4O2.C19H16FN5O3S.C18H21N5O3/c1-32-20-7-6-17-12-19(5-4-18(17)13-20)22-15-28-24-23(26-10-11-29(22)24)27-14-16-2-8-21(9-3-16)33(25,30)31;21-18(27)15-3-1-13(2-4-15)11-23-19-20-24-12-17(25(20)10-9-22-19)14-5-7-16(26)8-6-14;1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;1-26-17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15;20-15-9-13(3-6-17(15)26)16-11-24-19-18(22-7-8-25(16)19)23-10-12-1-4-14(5-2-12)29(21,27)28;1-12(24)19-6-7-20-17-18-22-11-14(23(18)9-8-21-17)13-4-5-15(25-2)16(10-13)26-3/h2-13,15H,14H2,1H3,(H,26,27)(H2,25,30,31);1-10,12,26H,11H2,(H2,21,27)(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);4-5,8-11H,6-7H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 2328.60 g/mol, XLogP of 17.93, 33 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[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]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 159879665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).