(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone

C15H18N4O2 — CID 171945605

IUPAC(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3ccnn3c1)C2
InChIInChI=1S/C15H18N4O2/c1-18-12-4-10(5-13(18)9-21-8-12)15(20)11-6-16-14-2-3-17-19(14)7-11/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3
InChIKeyWBKLAVBZTCIPKI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds2

About (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone

(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone (PubChem CID 171945605) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone.

Molecular Properties

Compound Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
PubChem CID171945605
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3ccnn3c1)C2
InChIInChI=1S/C15H18N4O2/c1-18-12-4-10(5-13(18)9-21-8-12)15(20)11-6-16-14-2-3-17-19(14)7-11/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3
InChIKeyWBKLAVBZTCIPKI-UHFFFAOYSA-N
XLogP1.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one
CID 58216666
1-[5-(6-Oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158631340
1-[5-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379434
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941717
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171941725
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941726
(9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941727
Tert-butyl 7-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941729
Imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945580
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945586
8-Oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171945591
9-Azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171945595

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone?
The IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone (CID 171945605) is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone.
What is the SMILES notation for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone?
The canonical SMILES for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone is CN1C2COCC1CC(C(=O)c1cnc3ccnn3c1)C2.
What is the InChIKey of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone?
The InChIKey is WBKLAVBZTCIPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-12-4-10(5-13(18)9-21-8-12)15(20)11-6-16-14-2-3-17-19(14)7-11/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3.
What are the key properties of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone?
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone is sourced from PubChem (CID 171945605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).