8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone

C14H16N4O — CID 171945585

IUPAC8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-5-11-1-2-12(6-9)17-11)10-7-15-13-3-4-16-18(13)8-10/h3-4,7-9,11-12,17H,1-2,5-6H2
InChIKeyCPSHXYKGFNHBRZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.44
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171945585) 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(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171945585
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-5-11-1-2-12(6-9)17-11)10-7-15-13-3-4-16-18(13)8-10/h3-4,7-9,11-12,17H,1-2,5-6H2
InChIKeyCPSHXYKGFNHBRZ-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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Related Compounds

3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
N-butyl-5-[2-(5-ethyl-3-fluoro-6-oxocyclohexa-1,3-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142432038
N-butyl-5-[(2R)-2-(5-ethyl-3-fluoro-6-oxocyclohexa-1,3-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144283135
2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123477170
4-[(3-Butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 129298483
2,3,7,13-Tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 144337364
2-Butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
CID 154612475
1-[2-Amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 167251698
1-(2-Piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 170948251
5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860285
1-(1-Methylpyrazol-4-yl)-2-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
CID 75472985
2-Pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
CID 82393673

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171945585) is 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is O=C(c1cnc2ccnn2c1)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is CPSHXYKGFNHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(9-5-11-1-2-12(6-9)17-11)10-7-15-13-3-4-16-18(13)8-10/h3-4,7-9,11-12,17H,1-2,5-6H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-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(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171945585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).