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

C19H14F4N6 — CID 135387951

IUPAC6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3)nc21
InChIInChI=1S/C19H14F4N6/c1-29-17-16(28-18(29)19(21,22)23)26-15(25-13-10-6-5-9-12(13)20)14(27-17)24-11-7-3-2-4-8-11/h2-10H,1H3,(H,24,27)(H,25,26)
InChIKeyNWEJGOVVBPVRIJ-UHFFFAOYSA-N
MW402.36 g/mol
LogP5.01
Rot. Bonds4

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

6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (PubChem CID 135387951) has the molecular formula C19H14F4N6 and a molecular weight of 402.36 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
PubChem CID135387951
Molecular FormulaC19H14F4N6
Molecular Weight402.36 g/mol
Exact Mass402.12
IUPAC Name6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3)nc21
InChIInChI=1S/C19H14F4N6/c1-29-17-16(28-18(29)19(21,22)23)26-15(25-13-10-6-5-9-12(13)20)14(27-17)24-11-7-3-2-4-8-11/h2-10H,1H3,(H,24,27)(H,25,26)
InChIKeyNWEJGOVVBPVRIJ-UHFFFAOYSA-N
XLogP5.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.36
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (CID 135387951) is 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is Cn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3)nc21.
What is the InChIKey of 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The InChIKey is NWEJGOVVBPVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6/c1-29-17-16(28-18(29)19(21,22)23)26-15(25-13-10-6-5-9-12(13)20)14(27-17)24-11-7-3-2-4-8-11/h2-10H,1H3,(H,24,27)(H,25,26).
What are the key properties of 6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine has a molecular weight of 402.36 g/mol, XLogP of 5.01, 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)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is sourced from PubChem (CID 135387951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).