5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine

C25H27FN6 — CID 170238128

IUPAC5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine
SMILESC=C1C=c2[nH]nc(-c3cccc(N4CCN(C)CC4)c3)c2=NN1c1c(F)cccc1CC
InChIInChI=1S/C25H27FN6/c1-4-18-7-6-10-21(26)25(18)32-17(2)15-22-24(29-32)23(28-27-22)19-8-5-9-20(16-19)31-13-11-30(3)12-14-31/h5-10,15-16,27H,2,4,11-14H2,1,3H3
InChIKeyYRWDLOHUEIQEMB-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.88
Rot. Bonds4

About 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine

5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine (PubChem CID 170238128) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine.

Molecular Properties

Compound Name5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine
PubChem CID170238128
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine
SMILESC=C1C=c2[nH]nc(-c3cccc(N4CCN(C)CC4)c3)c2=NN1c1c(F)cccc1CC
InChIInChI=1S/C25H27FN6/c1-4-18-7-6-10-21(26)25(18)32-17(2)15-22-24(29-32)23(28-27-22)19-8-5-9-20(16-19)31-13-11-30(3)12-14-31/h5-10,15-16,27H,2,4,11-14H2,1,3H3
InChIKeyYRWDLOHUEIQEMB-UHFFFAOYSA-N
XLogP2.88
TPSA50.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
7-[5-(2-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170238852
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
ethyl 5-[3-(4-methylpiperazin-1-yl)phenyl]-2H-triazole-4-carboxylate
CID 169401471
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-[3-[3-fluoro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one
CID 158068202
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062379
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine?
The IUPAC name of 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine (CID 170238128) is 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine.
What is the SMILES notation for 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine?
The canonical SMILES for 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine is C=C1C=c2[nH]nc(-c3cccc(N4CCN(C)CC4)c3)c2=NN1c1c(F)cccc1CC.
What is the InChIKey of 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine?
The InChIKey is YRWDLOHUEIQEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6/c1-4-18-7-6-10-21(26)25(18)32-17(2)15-22-24(29-32)23(28-27-22)19-8-5-9-20(16-19)31-13-11-30(3)12-14-31/h5-10,15-16,27H,2,4,11-14H2,1,3H3.
What are the key properties of 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine?
5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine has a molecular weight of 430.53 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluorophenyl)-6-methylidene-3-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazine is sourced from PubChem (CID 170238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).