3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one

C24H18FN5O2 — CID 71111477

IUPAC3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one
SMILESCOc1cccc(-n2ccc(=O)c(-c3ccnn3-c3cc(C)nc4c(F)cccc34)n2)c1
InChIInChI=1S/C24H18FN5O2/c1-15-13-21(18-7-4-8-19(25)23(18)27-15)30-20(9-11-26-30)24-22(31)10-12-29(28-24)16-5-3-6-17(14-16)32-2/h3-14H,1-2H3
InChIKeyALSCIVVDZVLKNL-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.09
Rot. Bonds4

About 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one

3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one (PubChem CID 71111477) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one
PubChem CID71111477
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one
SMILESCOc1cccc(-n2ccc(=O)c(-c3ccnn3-c3cc(C)nc4c(F)cccc34)n2)c1
InChIInChI=1S/C24H18FN5O2/c1-15-13-21(18-7-4-8-19(25)23(18)27-15)30-20(9-11-26-30)24-22(31)10-12-29(28-24)16-5-3-6-17(14-16)32-2/h3-14H,1-2H3
InChIKeyALSCIVVDZVLKNL-UHFFFAOYSA-N
XLogP4.09
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
CID 59453401
1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
CID 59370097
1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
CID 46872606
3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 59436228
N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
CID 71111854
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
CID 70226809
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-quinolin-6-ylpyridazin-4-one
CID 59453404
3-(2-pyridin-2-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 46218711
3-[3-(2-naphthalen-1-ylpyrazol-3-yl)-4-oxopyridazin-1-yl]benzoic acid
CID 91035591
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
CID 59453403
3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
CID 59370102
3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one (CID 71111477) is 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one is COc1cccc(-n2ccc(=O)c(-c3ccnn3-c3cc(C)nc4c(F)cccc34)n2)c1.
What is the InChIKey of 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one?
The InChIKey is ALSCIVVDZVLKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-15-13-21(18-7-4-8-19(25)23(18)27-15)30-20(9-11-26-30)24-22(31)10-12-29(28-24)16-5-3-6-17(14-16)32-2/h3-14H,1-2H3.
What are the key properties of 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one?
3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one has a molecular weight of 427.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one is sourced from PubChem (CID 71111477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).