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

C35H24F4N12O2 — CID 142482690

IUPAC5-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
SMILESCN(c1ccc(-c2ccc(N(C)c3nc4nonc4nc3N(C)c3ccccc3F)c(F)c2)cc1F)c1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C35H24F4N12O2/c1-49(33-32(40-24-10-6-4-8-20(24)36)41-28-29(42-33)46-52-45-28)26-14-12-18(16-22(26)38)19-13-15-27(23(39)17-19)51(3)35-34(43-30-31(44-35)48-53-47-30)50(2)25-11-7-5-9-21(25)37/h4-17H,1-3H3,(H,40,41,45)
InChIKeyFLSODMBMYXDEOT-UHFFFAOYSA-N
MW720.65 g/mol
LogP7.61
Rot. Bonds9

About 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

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 (PubChem CID 142482690) has the molecular formula C35H24F4N12O2 and a molecular weight of 720.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID142482690
Molecular FormulaC35H24F4N12O2
Molecular Weight720.65 g/mol
Exact Mass720.21
IUPAC Name5-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
SMILESCN(c1ccc(-c2ccc(N(C)c3nc4nonc4nc3N(C)c3ccccc3F)c(F)c2)cc1F)c1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C35H24F4N12O2/c1-49(33-32(40-24-10-6-4-8-20(24)36)41-28-29(42-33)46-52-45-28)26-14-12-18(16-22(26)38)19-13-15-27(23(39)17-19)51(3)35-34(43-30-31(44-35)48-53-47-30)50(2)25-11-7-5-9-21(25)37/h4-17H,1-3H3,(H,40,41,45)
InChIKeyFLSODMBMYXDEOT-UHFFFAOYSA-N
XLogP7.61
TPSA151.15 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.65
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 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,6-N-bis[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482634
5-N,6-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482640
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482641
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482692
6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482720
N-(4-fluorophenyl)-6-(4-methyl-1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 694131
N,N-Dimethyl-N'-p-tolyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 739859
N5-(4-Fluorophenyl)-N6-[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4377992
6-N-(2-adamantyl)-5-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 44522387
N-(2-fluorophenyl)-6-(3-methylpiperidin-1-yl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 3122052
N-(2-fluorophenyl)-N'-(4-methylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 702322
5-N-(2-fluorophenyl)-6-N-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482674

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccc(N(C)c3nc4nonc4nc3N(C)c3ccccc3F)c(F)c2)cc1F)c1nc2nonc2nc1Nc1ccccc1F.
What is the InChIKey of 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?
The InChIKey is FLSODMBMYXDEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24F4N12O2/c1-49(33-32(40-24-10-6-4-8-20(24)36)41-28-29(42-33)46-52-45-28)26-14-12-18(16-22(26)38)19-13-15-27(23(39)17-19)51(3)35-34(43-30-31(44-35)48-53-47-30)50(2)25-11-7-5-9-21(25)37/h4-17H,1-3H3,(H,40,41,45).
What are the key properties of 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?
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 has a molecular weight of 720.65 g/mol, XLogP of 7.61, 9 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142482690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).