(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane

C18H21N3O — CID 15950825

IUPAC(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
SMILESCOc1ccc(-c2ccc([C@]34CCCN(CC3)C4)nn2)cc1
InChIInChI=1S/C18H21N3O/c1-22-15-5-3-14(4-6-15)16-7-8-17(20-19-16)18-9-2-11-21(13-18)12-10-18/h3-8H,2,9-13H2,1H3/t18-/m1/s1
InChIKeyXFBFULXEMPOFDV-GOSISDBHSA-N
MW295.39 g/mol
LogP2.89
Rot. Bonds3

About (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane

(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane (PubChem CID 15950825) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
PubChem CID15950825
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
SMILESCOc1ccc(-c2ccc([C@]34CCCN(CC3)C4)nn2)cc1
InChIInChI=1S/C18H21N3O/c1-22-15-5-3-14(4-6-15)16-7-8-17(20-19-16)18-9-2-11-21(13-18)12-10-18/h3-8H,2,9-13H2,1H3/t18-/m1/s1
InChIKeyXFBFULXEMPOFDV-GOSISDBHSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
CID 67547751
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
CID 67494131
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
CID 108773106
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
5-(6-thiophen-2-yl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
CID 69052513
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
6-chloro-1'-[6-(4-methoxyphenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774758
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204731
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The IUPAC name of (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane (CID 15950825) is (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane is COc1ccc(-c2ccc([C@]34CCCN(CC3)C4)nn2)cc1.
What is the InChIKey of (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The InChIKey is XFBFULXEMPOFDV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-15-5-3-14(4-6-15)16-7-8-17(20-19-16)18-9-2-11-21(13-18)12-10-18/h3-8H,2,9-13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
(5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane has a molecular weight of 295.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[6-(4-methoxyphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 15950825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).