3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine

C23H24F2N4O3S — CID 72949081

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine
SMILESCc1nc2cnc(C3=CC4CCC(C3)N4S(C)(=O)=O)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C23H24F2N4O3S/c1-14-20(11-15-5-3-4-6-21(15)32-23(24)25)28-13-19(26-12-22(28)27-14)16-9-17-7-8-18(10-16)29(17)33(2,30)31/h3-6,9,12-13,17-18,23H,7-8,10-11H2,1-2H3
InChIKeyLDLKLUMCILGRDH-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.81
Rot. Bonds6

About 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine

3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine (PubChem CID 72949081) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine
PubChem CID72949081
Molecular FormulaC23H24F2N4O3S
Molecular Weight474.53 g/mol
Exact Mass474.15
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine
SMILESCc1nc2cnc(C3=CC4CCC(C3)N4S(C)(=O)=O)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C23H24F2N4O3S/c1-14-20(11-15-5-3-4-6-21(15)32-23(24)25)28-13-19(26-12-22(28)27-14)16-9-17-7-8-18(10-16)29(17)33(2,30)31/h3-6,9,12-13,17-18,23H,7-8,10-11H2,1-2H3
InChIKeyLDLKLUMCILGRDH-UHFFFAOYSA-N
XLogP3.81
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine (CID 72949081) is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine is Cc1nc2cnc(C3=CC4CCC(C3)N4S(C)(=O)=O)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine?
The InChIKey is LDLKLUMCILGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c1-14-20(11-15-5-3-4-6-21(15)32-23(24)25)28-13-19(26-12-22(28)27-14)16-9-17-7-8-18(10-16)29(17)33(2,30)31/h3-6,9,12-13,17-18,23H,7-8,10-11H2,1-2H3.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine?
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine has a molecular weight of 474.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(8-methylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 72949081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).