6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine

C25H26F3N3O — CID 73389061

IUPAC6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine
SMILESCC1(C)CC(CCNc2cncc(-c3cc(F)ccc3F)n2)(c2cccc(F)c2)CCO1
InChIInChI=1S/C25H26F3N3O/c1-24(2)16-25(9-11-32-24,17-4-3-5-18(26)12-17)8-10-30-23-15-29-14-22(31-23)20-13-19(27)6-7-21(20)28/h3-7,12-15H,8-11,16H2,1-2H3,(H,30,31)
InChIKeyLWQHNXPOTJZGOM-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.89
Rot. Bonds6

About 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine

6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine (PubChem CID 73389061) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine
PubChem CID73389061
Molecular FormulaC25H26F3N3O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine
SMILESCC1(C)CC(CCNc2cncc(-c3cc(F)ccc3F)n2)(c2cccc(F)c2)CCO1
InChIInChI=1S/C25H26F3N3O/c1-24(2)16-25(9-11-32-24,17-4-3-5-18(26)12-17)8-10-30-23-15-29-14-22(31-23)20-13-19(27)6-7-21(20)28/h3-7,12-15H,8-11,16H2,1-2H3,(H,30,31)
InChIKeyLWQHNXPOTJZGOM-UHFFFAOYSA-N
XLogP5.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine 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-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine (CID 73389061) is 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine is CC1(C)CC(CCNc2cncc(-c3cc(F)ccc3F)n2)(c2cccc(F)c2)CCO1.
What is the InChIKey of 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine?
The InChIKey is LWQHNXPOTJZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c1-24(2)16-25(9-11-32-24,17-4-3-5-18(26)12-17)8-10-30-23-15-29-14-22(31-23)20-13-19(27)6-7-21(20)28/h3-7,12-15H,8-11,16H2,1-2H3,(H,30,31).
What are the key properties of 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine?
6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine has a molecular weight of 441.50 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-N-[2-[4-(3-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 73389061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).