8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone

C14H16N4O — CID 171945535

IUPAC8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-5-10-1-2-11(6-9)17-10)12-7-16-13-8-15-3-4-18(12)13/h3-4,7-11,17H,1-2,5-6H2
InChIKeyBIMOWUGIJJSFMN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.44
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone (PubChem CID 171945535) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
PubChem CID171945535
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-5-10-1-2-11(6-9)17-10)12-7-16-13-8-15-3-4-18(12)13/h3-4,7-11,17H,1-2,5-6H2
InChIKeyBIMOWUGIJJSFMN-UHFFFAOYSA-N
XLogP1.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone (CID 171945535) is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone is O=C(c1cnc2cnccn12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The InChIKey is BIMOWUGIJJSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(9-5-10-1-2-11(6-9)17-10)12-7-16-13-8-15-3-4-18(12)13/h3-4,7-11,17H,1-2,5-6H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone is sourced from PubChem (CID 171945535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).