7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

C22H20FN5 — CID 170238852

IUPAC7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESC=C1C=c2[nH]nc(-c3ccc4c(c3)CNCC4)c2=NN1c1c(C)cccc1F
InChIInChI=1S/C22H20FN5/c1-13-4-3-5-18(23)22(13)28-14(2)10-19-21(27-28)20(26-25-19)16-7-6-15-8-9-24-12-17(15)11-16/h3-7,10-11,24-25H,2,8-9,12H2,1H3
InChIKeyXIMWHQGOGFXZTJ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.52
Rot. Bonds2

About 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 170238852) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID170238852
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESC=C1C=c2[nH]nc(-c3ccc4c(c3)CNCC4)c2=NN1c1c(C)cccc1F
InChIInChI=1S/C22H20FN5/c1-13-4-3-5-18(23)22(13)28-14(2)10-19-21(27-28)20(26-25-19)16-7-6-15-8-9-24-12-17(15)11-16/h3-7,10-11,24-25H,2,8-9,12H2,1H3
InChIKeyXIMWHQGOGFXZTJ-UHFFFAOYSA-N
XLogP2.52
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine
CID 170238128
7-[5-(2-ethyl-6-fluorophenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170238100
5-(2-fluoro-6-methylphenyl)-3-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062470
5-(2-fluoro-6-methylphenyl)-3-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 170554882
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
5-(2-fluoro-6-methylphenyl)-3-[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062365
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 10154309
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
7-[4-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 68796358
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 106883144
7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103293930

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (CID 170238852) is 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is C=C1C=c2[nH]nc(-c3ccc4c(c3)CNCC4)c2=NN1c1c(C)cccc1F.
What is the InChIKey of 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XIMWHQGOGFXZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c1-13-4-3-5-18(23)22(13)28-14(2)10-19-21(27-28)20(26-25-19)16-7-6-15-8-9-24-12-17(15)11-16/h3-7,10-11,24-25H,2,8-9,12H2,1H3.
What are the key properties of 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 373.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 170238852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).