2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate

C40H34Cl2N10O4 — CID 157340411

IUPAC2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate
SMILESCCOC(C)=O.Nc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.O=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClN5O2.C18H14ClN5.C4H8O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26;19-13-2-1-3-15(10-13)22-18-17(12-4-6-14(20)7-5-12)23-16-11-21-8-9-24(16)18;1-3-6-4(2)5/h1-11,21H;1-11,22H,20H2;3H2,1-2H3
InChIKeyBGIFFFNDJBTLMA-UHFFFAOYSA-N
MW789.68 g/mol
LogP9.65
Rot. Bonds8

About 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate

2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate (PubChem CID 157340411) has the molecular formula C40H34Cl2N10O4 and a molecular weight of 789.68 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate
PubChem CID157340411
Molecular FormulaC40H34Cl2N10O4
Molecular Weight789.68 g/mol
Exact Mass788.21
IUPAC Name2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate
SMILESCCOC(C)=O.Nc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.O=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClN5O2.C18H14ClN5.C4H8O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26;19-13-2-1-3-15(10-13)22-18-17(12-4-6-14(20)7-5-12)23-16-11-21-8-9-24(16)18;1-3-6-4(2)5/h1-11,21H;1-11,22H,20H2;3H2,1-2H3
InChIKeyBGIFFFNDJBTLMA-UHFFFAOYSA-N
XLogP9.65
TPSA179.90 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.68
LogP ≤ 59.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate 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

3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
1-[3-[8-[4-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 9986328
1-[3-[8-[2-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 10100197
1-[3-[8-[(4-Chlorophenyl)methyl-(2-methoxyethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 10371929
1-[3-[8-[4-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 10416215
1-[3-[8-[4-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(3-ethoxypropylamino)methyl]phenyl]urea
CID 10461542
1-[3-[8-[2-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 11758530
N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine
CID 58902493
1-[3-[8-[4-(4-Chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(3-methoxypropylamino)methyl]phenyl]urea
CID 59992185
3-[3-[4-Chloro-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridin-3-yl]phenyl]-1,2,5-oxadiazole
CID 67257169
Methyl 2-[7-chloro-5-[(4-nitrophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;methyl 2-[7-(dimethylamino)-5-[(4-nitrophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate
CID 123241195
acetyl acetate;2-chloropyridin-3-amine;N-(2-chloro-3-pyridinyl)acetamide;4-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline
CID 157063367

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate?
The IUPAC name of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate (CID 157340411) is 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate is CCOC(C)=O.Nc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.O=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate?
The InChIKey is BGIFFFNDJBTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2.C18H14ClN5.C4H8O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26;19-13-2-1-3-15(10-13)22-18-17(12-4-6-14(20)7-5-12)23-16-11-21-8-9-24(16)18;1-3-6-4(2)5/h1-11,21H;1-11,22H,20H2;3H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate?
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate has a molecular weight of 789.68 g/mol, XLogP of 9.65, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;ethyl acetate is sourced from PubChem (CID 157340411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).