1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one

C18H14FN5O — CID 16846457

IUPAC1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccn2)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-12-16-10-21-24(15-7-5-13(19)6-8-15)17(16)18(25)23(22-12)11-14-4-2-3-9-20-14/h2-10H,11H2,1H3
InChIKeyWZFGFPDTNGWRGT-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one

1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846457) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846457
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccn2)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-12-16-10-21-24(15-7-5-13(19)6-8-15)17(16)18(25)23(22-12)11-14-4-2-3-9-20-14/h2-10H,11H2,1H3
InChIKeyWZFGFPDTNGWRGT-UHFFFAOYSA-N
XLogP2.47
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
1-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846861
1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one
CID 16846376
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
1-(3,4-dimethylphenyl)-6-[(3-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846860
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846397
benzyl 2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetate
CID 16846465
1-(4-fluorophenyl)-6-[(2-methylphenyl)methyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847105
N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846489
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one (CID 16846457) is 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one is Cc1nn(Cc2ccccn2)c(=O)c2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is WZFGFPDTNGWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-12-16-10-21-24(15-7-5-13(19)6-8-15)17(16)18(25)23(22-12)11-14-4-2-3-9-20-14/h2-10H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one?
1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 335.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).