8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

C20H22N4O — CID 171959749

IUPAC8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cnc3cccnn23)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H22N4O/c25-20(18-13-21-19-7-4-10-22-24(18)19)11-16-8-9-17(12-20)23(16)14-15-5-2-1-3-6-15/h1-7,10,13,16-17,25H,8-9,11-12,14H2
InChIKeyCPICGHSOVJCABU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.74
Rot. Bonds3

About 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959749) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959749
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cnc3cccnn23)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H22N4O/c25-20(18-13-21-19-7-4-10-22-24(18)19)11-16-8-9-17(12-20)23(16)14-15-5-2-1-3-6-15/h1-7,10,13,16-17,25H,8-9,11-12,14H2
InChIKeyCPICGHSOVJCABU-UHFFFAOYSA-N
XLogP2.74
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959981
8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171956091
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 171959749) is 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cnc3cccnn23)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CPICGHSOVJCABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-13-21-19-7-4-10-22-24(18)19)11-16-8-9-17(12-20)23(16)14-15-5-2-1-3-6-15/h1-7,10,13,16-17,25H,8-9,11-12,14H2.
What are the key properties of 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 334.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).