6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine

C19H13F5N6 — CID 135387744

IUPAC6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3cccc(F)c3)nc21
InChIInChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-15(26-13-8-3-2-7-12(13)21)14(28-17)25-11-6-4-5-10(20)9-11/h2-9H,1H3,(H,25,28)(H,26,27)
InChIKeySHIBSGXXFOMVPF-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.15
Rot. Bonds4

About 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine

6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (PubChem CID 135387744) has the molecular formula C19H13F5N6 and a molecular weight of 420.35 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
PubChem CID135387744
Molecular FormulaC19H13F5N6
Molecular Weight420.35 g/mol
Exact Mass420.11
IUPAC Name6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3cccc(F)c3)nc21
InChIInChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-15(26-13-8-3-2-7-12(13)21)14(28-17)25-11-6-4-5-10(20)9-11/h2-9H,1H3,(H,25,28)(H,26,27)
InChIKeySHIBSGXXFOMVPF-UHFFFAOYSA-N
XLogP5.15
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-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

6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 135387951
5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482638
3-methyl-2-(trifluoromethyl)-5-N,6-N-bis[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482631
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
3-methyl-5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482647
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
4-N-(2-fluorophenyl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3665152
2-(3-fluoroanilino)benzaldehyde
CID 89300510
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (CID 135387744) is 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is Cn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3cccc(F)c3)nc21.
What is the InChIKey of 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The InChIKey is SHIBSGXXFOMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-15(26-13-8-3-2-7-12(13)21)14(28-17)25-11-6-4-5-10(20)9-11/h2-9H,1H3,(H,25,28)(H,26,27).
What are the key properties of 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine has a molecular weight of 420.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is sourced from PubChem (CID 135387744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).