5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine

C24H19F5N6O — CID 166104524

IUPAC5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine
SMILESCn1c(-c2cccc(C(F)(F)F)n2)nc2ncc(N3CC4C(COc5cc(F)cc(F)c5)C4C3)nc21
InChIInChI=1S/C24H19F5N6O/c1-34-22(18-3-2-4-19(31-18)24(27,28)29)33-21-23(34)32-20(8-30-21)35-9-15-16(10-35)17(15)11-36-14-6-12(25)5-13(26)7-14/h2-8,15-17H,9-11H2,1H3
InChIKeyZHWBPEBRNJOFOO-UHFFFAOYSA-N
MW502.45 g/mol
LogP4.48
Rot. Bonds5

About 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine

5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine (PubChem CID 166104524) has the molecular formula C24H19F5N6O and a molecular weight of 502.45 g/mol. Its IUPAC name is 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine
PubChem CID166104524
Molecular FormulaC24H19F5N6O
Molecular Weight502.45 g/mol
Exact Mass502.15
IUPAC Name5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine
SMILESCn1c(-c2cccc(C(F)(F)F)n2)nc2ncc(N3CC4C(COc5cc(F)cc(F)c5)C4C3)nc21
InChIInChI=1S/C24H19F5N6O/c1-34-22(18-3-2-4-19(31-18)24(27,28)29)33-21-23(34)32-20(8-30-21)35-9-15-16(10-35)17(15)11-36-14-6-12(25)5-13(26)7-14/h2-8,15-17H,9-11H2,1H3
InChIKeyZHWBPEBRNJOFOO-UHFFFAOYSA-N
XLogP4.48
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine 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 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine (CID 166104524) is 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine is Cn1c(-c2cccc(C(F)(F)F)n2)nc2ncc(N3CC4C(COc5cc(F)cc(F)c5)C4C3)nc21.
What is the InChIKey of 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine?
The InChIKey is ZHWBPEBRNJOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6O/c1-34-22(18-3-2-4-19(31-18)24(27,28)29)33-21-23(34)32-20(8-30-21)35-9-15-16(10-35)17(15)11-36-14-6-12(25)5-13(26)7-14/h2-8,15-17H,9-11H2,1H3.
What are the key properties of 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine?
5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine has a molecular weight of 502.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 166104524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).