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

C16H20N4O — CID 171941707

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)18-10)16(21)11-6-13-3-4-14(7-11)19(13)2/h5,8-9,11,13-14H,3-4,6-7H2,1-2H3
InChIKeyLDOFGCJHSZTYDS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds2

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

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941707) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941707
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)18-10)16(21)11-6-13-3-4-14(7-11)19(13)2/h5,8-9,11,13-14H,3-4,6-7H2,1-2H3
InChIKeyLDOFGCJHSZTYDS-UHFFFAOYSA-N
XLogP2.09
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

US11186582, Example 435
CID 118479732
Piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone
CID 6624668
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 134794784
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
2-Cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
CID 123973608
2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140648217
2-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140648222
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
CID 155083923
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
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 159663480
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

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941707) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCC(C3)N4C)cn2n1.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is LDOFGCJHSZTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)18-10)16(21)11-6-13-3-4-14(7-11)19(13)2/h5,8-9,11,13-14H,3-4,6-7H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).