5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane

C16H20N4 — CID 141289198

IUPAC5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
SMILESCc1cc(-c2ccc(C34CCCN(CC3)C4)cn2)n[nH]1
InChIInChI=1S/C16H20N4/c1-12-9-15(19-18-12)14-4-3-13(10-17-14)16-5-2-7-20(11-16)8-6-16/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,19)
InChIKeyAFFCCNFEXVQUSZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds2

About 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane

5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane (PubChem CID 141289198) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
PubChem CID141289198
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
SMILESCc1cc(-c2ccc(C34CCCN(CC3)C4)cn2)n[nH]1
InChIInChI=1S/C16H20N4/c1-12-9-15(19-18-12)14-4-3-13(10-17-14)16-5-2-7-20(11-16)8-6-16/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,19)
InChIKeyAFFCCNFEXVQUSZ-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
CID 67050033
5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
CID 12069069
5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
CID 69060308
5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
CID 69052513
5-[6-(1-benzothiophen-2-yl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
CID 67493847
4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane
CID 67493852
4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
CID 67494131
5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
CID 67547751
5-(6-phenoxathiin-1-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane;hydrobromide
CID 69092099
2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102093
3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile
CID 67050155
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
CID 110101996

Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane (CID 141289198) is 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane is Cc1cc(-c2ccc(C34CCCN(CC3)C4)cn2)n[nH]1.
What is the InChIKey of 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The InChIKey is AFFCCNFEXVQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-9-15(19-18-12)14-4-3-13(10-17-14)16-5-2-7-20(11-16)8-6-16/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,19).
What are the key properties of 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane has a molecular weight of 268.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-methyl-1H-pyrazol-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 141289198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).