8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C15H18N4O — CID 171941706

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4)cn2n1
InChIInChI=1S/C15H18N4O/c1-9-4-14-16-7-11(8-19(14)18-9)15(20)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13,17H,2-3,5-6H2,1H3
InChIKeyIUQVJODPCPQSHX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.75
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941706) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941706
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4)cn2n1
InChIInChI=1S/C15H18N4O/c1-9-4-14-16-7-11(8-19(14)18-9)15(20)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13,17H,2-3,5-6H2,1H3
InChIKeyIUQVJODPCPQSHX-UHFFFAOYSA-N
XLogP1.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134792230
N-cycloheptyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134794237
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
1-[5-[(5S)-5-amino-3,3-difluorocyclohexyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-(difluoromethyl)-5-methylpyrazol-3-yl]ethanone
CID 138727726
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 157943602
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 159301414
1-[5-(Cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
CID 160794204
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-[(3-hydroxy-3-methylbutyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 160911965
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-[4-(dimethylamino)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 161499669
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 161982532
1-[5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
CID 162007956
1-[5-(5-Amino-3,3-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-(difluoromethyl)-5-methylpyrazol-3-yl]ethanone
CID 163268659

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941706) is 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCC(C3)N4)cn2n1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is IUQVJODPCPQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-4-14-16-7-11(8-19(14)18-9)15(20)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13,17H,2-3,5-6H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.75, 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-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).