5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole

C19H21N5O — CID 25069156

IUPAC5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole
SMILESCN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]ncc4c3)nn1)C2
InChIInChI=1S/C19H21N5O/c1-24-14-3-4-15(24)10-16(9-14)25-19-7-6-17(22-23-19)12-2-5-18-13(8-12)11-20-21-18/h2,5-8,11,14-16H,3-4,9-10H2,1H3,(H,20,21)
InChIKeyPXKYEXJRQJLUQV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds3

About 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole

5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole (PubChem CID 25069156) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole.

Molecular Properties

Compound Name5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole
PubChem CID25069156
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole
SMILESCN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]ncc4c3)nn1)C2
InChIInChI=1S/C19H21N5O/c1-24-14-3-4-15(24)10-16(9-14)25-19-7-6-17(22-23-19)12-2-5-18-13(8-12)11-20-21-18/h2,5-8,11,14-16H,3-4,9-10H2,1H3,(H,20,21)
InChIKeyPXKYEXJRQJLUQV-UHFFFAOYSA-N
XLogP3.02
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole with MolForge

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Related Compounds

3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 25069153
1-methyl-5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]indole;2,2,2-trifluoroacetic acid
CID 66787658
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
CID 25068504
5-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
CID 11472679
3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66788147
(1R,5S)-3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66788146
(1R,5S)-3-[[5-(1-benzothiophen-5-yl)-2-pyridinyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 66787488
2-[6-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154988058
3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
CID 163429926
6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
CID 73293991
2-[6-[[(1R,3S,5S)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162666196
2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline
CID 138809132

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole?
The IUPAC name of 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole (CID 25069156) is 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole.
What is the SMILES notation for 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole?
The canonical SMILES for 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole is CN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]ncc4c3)nn1)C2.
What is the InChIKey of 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole?
The InChIKey is PXKYEXJRQJLUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-14-3-4-15(24)10-16(9-14)25-19-7-6-17(22-23-19)12-2-5-18-13(8-12)11-20-21-18/h2,5-8,11,14-16H,3-4,9-10H2,1H3,(H,20,21).
What are the key properties of 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole?
5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole has a molecular weight of 335.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole is sourced from PubChem (CID 25069156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).