6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

C22H26FN5O3 — CID 16847127

IUPAC6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCC1CN(C(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)CC(C)O1
InChIInChI=1S/C22H26FN5O3/c1-13(2)20-18-9-24-28(17-7-5-16(23)6-8-17)21(18)22(30)27(25-20)12-19(29)26-10-14(3)31-15(4)11-26/h5-9,13-15H,10-12H2,1-4H3
InChIKeyBPLBODNUGRLQGK-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.48
Rot. Bonds4

About 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16847127) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16847127
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCC1CN(C(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)CC(C)O1
InChIInChI=1S/C22H26FN5O3/c1-13(2)20-18-9-24-28(17-7-5-16(23)6-8-17)21(18)22(30)27(25-20)12-19(29)26-10-14(3)31-15(4)11-26/h5-9,13-15H,10-12H2,1-4H3
InChIKeyBPLBODNUGRLQGK-UHFFFAOYSA-N
XLogP2.48
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847046
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847048
N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847059
N-(2,4-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847058
N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847086
1-(4-fluorophenyl)-6-[(2-methylphenyl)methyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847105
N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847133
1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847039
N-(3,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847073
6-[(3,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847145
N-(2,5-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847072
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846383

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (CID 16847127) is 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is CC1CN(C(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)CC(C)O1.
What is the InChIKey of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is BPLBODNUGRLQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-13(2)20-18-9-24-28(17-7-5-16(23)6-8-17)21(18)22(30)27(25-20)12-19(29)26-10-14(3)31-15(4)11-26/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 427.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16847127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).