2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one

C21H33N5O2 — CID 53353880

IUPAC2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
SMILESCC1(C)CC(n2ncc3nn(CCN4CCOCC4)cc3c2=O)CC(C)(C)C1
InChIInChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-14-25(23-18(17)13-22-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
InChIKeyQOXMHGXEHCEFOH-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one

2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one (PubChem CID 53353880) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
PubChem CID53353880
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
SMILESCC1(C)CC(n2ncc3nn(CCN4CCOCC4)cc3c2=O)CC(C)(C)C1
InChIInChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-14-25(23-18(17)13-22-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
InChIKeyQOXMHGXEHCEFOH-UHFFFAOYSA-N
XLogP2.70
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353875
1-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353878
2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353879
1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-L-prolyl}morpholine
CID 77082969
1,3-dimethyl-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-carboxamide
CID 97787066
(1R*,5R*)-6-(2-methoxyethyl)-3-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133121668
1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008764
2-(4-methylpentyl)-4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45172896
7-(2-methoxyethyl)-2-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56882036
(4aR*,6R*,8aS*)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-8a-(methoxymethyl)-6-(4-morpholinyl)decahydroisoquinoline
CID 70762623

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one (CID 53353880) is 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one is CC1(C)CC(n2ncc3nn(CCN4CCOCC4)cc3c2=O)CC(C)(C)C1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is QOXMHGXEHCEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-14-25(23-18(17)13-22-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3.
What are the key properties of 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one?
2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 387.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 53353880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).