bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane

C52H37Cl2F7N18O3 — CID 159252808

IUPACbis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
SMILESC.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/2C17H11ClF2N6O.C17H11F3N6O.CH4/c3*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20;/h3*2-7H,1H3,(H,21,23,25)(H,22,24,26);1H4
InChIKeyKVNBNIIQANSJAQ-UHFFFAOYSA-N
MW1165.88 g/mol
LogP14.34
Rot. Bonds12

About bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane

bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane (PubChem CID 159252808) has the molecular formula C52H37Cl2F7N18O3 and a molecular weight of 1165.88 g/mol. Its IUPAC name is bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane.

Molecular Properties

Compound Namebis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
PubChem CID159252808
Molecular FormulaC52H37Cl2F7N18O3
Molecular Weight1165.88 g/mol
Exact Mass1164.26
IUPAC Namebis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
SMILESC.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/2C17H11ClF2N6O.C17H11F3N6O.CH4/c3*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20;/h3*2-7H,1H3,(H,21,23,25)(H,22,24,26);1H4
InChIKeyKVNBNIIQANSJAQ-UHFFFAOYSA-N
XLogP14.34
TPSA266.28 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001165.88
LogP ≤ 514.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane 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

5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 118505194
5-N-[2-fluoro-4-[3-fluoro-4-[[5-(2-fluoro-N-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]-methylamino]phenyl]phenyl]-6-N-(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482690
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482711
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 158127674
5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 118505193
5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 158286605
5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 158352928
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159326924
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159407009
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 159672300
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 160576215
5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 160603125

Frequently Asked Questions

What is the IUPAC name of bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane?
The IUPAC name of bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane (CID 159252808) is bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane.
What is the SMILES notation for bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane?
The canonical SMILES for bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane is C.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane?
The InChIKey is KVNBNIIQANSJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11ClF2N6O.C17H11F3N6O.CH4/c3*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20;/h3*2-7H,1H3,(H,21,23,25)(H,22,24,26);1H4.
What are the key properties of bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane?
bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane has a molecular weight of 1165.88 g/mol, XLogP of 14.34, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane is sourced from PubChem (CID 159252808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).