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

C15H18N4O — CID 171945595

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-15(10-6-12-2-1-3-13(7-10)18-12)11-8-16-14-4-5-17-19(14)9-11/h4-5,8-10,12-13,18H,1-3,6-7H2
InChIKeySFWGSJXJDFJSCI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds2

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

9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171945595) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171945595
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-15(10-6-12-2-1-3-13(7-10)18-12)11-8-16-14-4-5-17-19(14)9-11/h4-5,8-10,12-13,18H,1-3,6-7H2
InChIKeySFWGSJXJDFJSCI-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

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-Piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 170948251
2-Pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
CID 82393673
3-Amino-1-{pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-one
CID 84771472
2-Amino-1-{pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-one
CID 84771473
(7-Amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone
CID 110085486
3-Pyrazolo[1,5-a]pyrimidin-6-ylpiperidin-4-one
CID 133645992
3-Pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
CID 133646009
2-Pyrazolo[1,5-a]pyrimidin-6-ylpiperidin-4-one
CID 133646013
1-[5-(Ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
CID 154574833
16-(Methylamino)-2,6,14,15,18,20-hexazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one
CID 164948008

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171945595) is 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is O=C(c1cnc2ccnn2c1)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is SFWGSJXJDFJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(10-6-12-2-1-3-13(7-10)18-12)11-8-16-14-4-5-17-19(14)9-11/h4-5,8-10,12-13,18H,1-3,6-7H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171945595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).