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

C24H23F2N5 — CID 170238100

IUPAC7-[5-(2-ethyl-6-fluorophenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESC=C1C=c2[nH]nc(-c3ccc4c(c3F)CN(C)CC4)c2=NN1c1c(F)cccc1CC
InChIInChI=1S/C24H23F2N5/c1-4-15-6-5-7-19(25)24(15)31-14(2)12-20-23(29-31)22(28-27-20)17-9-8-16-10-11-30(3)13-18(16)21(17)26/h5-9,12,27H,2,4,10-11,13H2,1,3H3
InChIKeyRFNDDRDNZXTRDV-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.25
Rot. Bonds3

About 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

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 (PubChem CID 170238100) has the molecular formula C24H23F2N5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[5-(2-ethyl-6-fluorophenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID170238100
Molecular FormulaC24H23F2N5
Molecular Weight419.48 g/mol
Exact Mass419.19
IUPAC Name7-[5-(2-ethyl-6-fluorophenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESC=C1C=c2[nH]nc(-c3ccc4c(c3F)CN(C)CC4)c2=NN1c1c(F)cccc1CC
InChIInChI=1S/C24H23F2N5/c1-4-15-6-5-7-19(25)24(15)31-14(2)12-20-23(29-31)22(28-27-20)17-9-8-16-10-11-30(3)13-18(16)21(17)26/h5-9,12,27H,2,4,10-11,13H2,1,3H3
InChIKeyRFNDDRDNZXTRDV-UHFFFAOYSA-N
XLogP3.25
TPSA47.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-fluoro-6-methylphenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170238852
8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 91551286
5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 166973712
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 145116789
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-ol
CID 105474711
3-(2-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 59534446
5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
CID 84675722
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=c2[nH]nc(-c3ccc4c(c3F)CN(C)CC4)c2=NN1c1c(F)cccc1CC.
What is the InChIKey of 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?
The InChIKey is RFNDDRDNZXTRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5/c1-4-15-6-5-7-19(25)24(15)31-14(2)12-20-23(29-31)22(28-27-20)17-9-8-16-10-11-30(3)13-18(16)21(17)26/h5-9,12,27H,2,4,10-11,13H2,1,3H3.
What are the key properties of 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?
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 has a molecular weight of 419.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170238100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).