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

C15H17N3OS — CID 171941713

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)S4)cn2n1
InChIInChI=1S/C15H17N3OS/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyGHDCFIGJSUOGGK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.89
Rot. Bonds2

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

(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171941713) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171941713
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)S4)cn2n1
InChIInChI=1S/C15H17N3OS/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyGHDCFIGJSUOGGK-UHFFFAOYSA-N
XLogP2.89
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-Methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
CID 141295251
2-Butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
CID 154612475
4-Cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 142613046
8-Azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941706
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941707
Tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941708
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171941712
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941714
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941715
(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)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941722
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941723

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171941713) is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCC(C3)S4)cn2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is GHDCFIGJSUOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171941713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).