(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C17H22N4O — CID 171941717

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCCC(C3)N4C)cn2n1
InChIInChI=1S/C17H22N4O/c1-11-6-16-18-9-13(10-21(16)19-11)17(22)12-7-14-4-3-5-15(8-12)20(14)2/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3
InChIKeySMQLWRZFJBLZGM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds2

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941717) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941717
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCCC(C3)N4C)cn2n1
InChIInChI=1S/C17H22N4O/c1-11-6-16-18-9-13(10-21(16)19-11)17(22)12-7-14-4-3-5-15(8-12)20(14)2/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3
InChIKeySMQLWRZFJBLZGM-UHFFFAOYSA-N
XLogP2.48
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,8,9,10,11-Hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(4-methylpiperazino)methanone
CID 20919419
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
1-(1-Methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone
CID 133423239
(3,5-Dimethylpiperidino)(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 20919421
N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101024
N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101025
7-[1-(2-cyclohexylacetyl)piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110151
[3-(2-Methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 126468512
1-(5-Methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 22097366
3-[7-(Dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
CID 90717960

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941717) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCCC(C3)N4C)cn2n1.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is SMQLWRZFJBLZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-6-16-18-9-13(10-21(16)19-11)17(22)12-7-14-4-3-5-15(8-12)20(14)2/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).