6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one

C21H23FN4O3 — CID 23601497

IUPAC6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(CC(=O)N3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1F
InChIInChI=1S/C21H23FN4O3/c1-14-17-11-23-26(13-19(27)24-7-9-29-10-8-24)21(28)20(17)15(2)25(14)12-16-5-3-4-6-18(16)22/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyMZHANRCZTWVLHB-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.86
Rot. Bonds4

About 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one

6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 23601497) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
PubChem CID23601497
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(CC(=O)N3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1F
InChIInChI=1S/C21H23FN4O3/c1-14-17-11-23-26(13-19(27)24-7-9-29-10-8-24)21(28)20(17)15(2)25(14)12-16-5-3-4-6-18(16)22/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyMZHANRCZTWVLHB-UHFFFAOYSA-N
XLogP1.86
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-one
CID 23601499
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 23601411
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylacetamide
CID 23601574
N-tert-butyl-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601514
5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
CID 20892013
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601533
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23601530
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 23601507
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 23601569
N-(4-fluoro-2-methylphenyl)-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601570
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 92669005

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one (CID 23601497) is 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(CC(=O)N3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is MZHANRCZTWVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-14-17-11-23-26(13-19(27)24-7-9-29-10-8-24)21(28)20(17)15(2)25(14)12-16-5-3-4-6-18(16)22/h3-6,11H,7-10,12-13H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one?
6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 398.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 23601497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).