5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane

C22H24N4 — CID 67493631

IUPAC5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
SMILESc1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc(-n2cccn2)c1
InChIInChI=1S/C22H24N4/c1-5-18(15-20(6-1)26-14-4-11-24-26)21-8-7-19(16-23-21)22-9-2-12-25(17-22)13-3-10-22/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2
InChIKeyQUEGSGCAKXQAKG-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.06
Rot. Bonds3

About 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane

5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane (PubChem CID 67493631) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
PubChem CID67493631
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
SMILESc1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc(-n2cccn2)c1
InChIInChI=1S/C22H24N4/c1-5-18(15-20(6-1)26-14-4-11-24-26)21-8-7-19(16-23-21)22-9-2-12-25(17-22)13-3-10-22/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2
InChIKeyQUEGSGCAKXQAKG-UHFFFAOYSA-N
XLogP4.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane?
The IUPAC name of 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane (CID 67493631) is 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane?
The canonical SMILES for 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane is c1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc(-n2cccn2)c1.
What is the InChIKey of 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane?
The InChIKey is QUEGSGCAKXQAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-5-18(15-20(6-1)26-14-4-11-24-26)21-8-7-19(16-23-21)22-9-2-12-25(17-22)13-3-10-22/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2.
What are the key properties of 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane?
5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane has a molecular weight of 344.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 67493631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).