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

C22H22F2N4O — CID 118207243

IUPAC6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2cnc(C3=CC4CCC(C3)N4)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H22F2N4O/c1-13-19(10-14-4-2-3-5-20(14)29-22(23)24)28-12-18(25-11-21(28)26-13)15-8-16-6-7-17(9-15)27-16/h2-5,8,11-12,16-17,22,27H,6-7,9-10H2,1H3
InChIKeyKCGDBOJIVXPRRP-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.14
Rot. Bonds5

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

6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine (PubChem CID 118207243) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine
PubChem CID118207243
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2cnc(C3=CC4CCC(C3)N4)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H22F2N4O/c1-13-19(10-14-4-2-3-5-20(14)29-22(23)24)28-12-18(25-11-21(28)26-13)15-8-16-6-7-17(9-15)27-16/h2-5,8,11-12,16-17,22,27H,6-7,9-10H2,1H3
InChIKeyKCGDBOJIVXPRRP-UHFFFAOYSA-N
XLogP4.14
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine (CID 118207243) is 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine is Cc1nc2cnc(C3=CC4CCC(C3)N4)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine?
The InChIKey is KCGDBOJIVXPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-13-19(10-14-4-2-3-5-20(14)29-22(23)24)28-12-18(25-11-21(28)26-13)15-8-16-6-7-17(9-15)27-16/h2-5,8,11-12,16-17,22,27H,6-7,9-10H2,1H3.
What are the key properties of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine?
6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine has a molecular weight of 396.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 118207243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).