6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one

C25H28F2N4O2 — CID 172851738

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCc3ccc(F)cc3)c(=O)c(N3CCNCC3)c2C)cc1F
InChIInChI=1S/C25H28F2N4O2/c1-17-23(19-7-10-22(33-2)21(27)16-19)29-31(13-3-4-18-5-8-20(26)9-6-18)25(32)24(17)30-14-11-28-12-15-30/h5-10,16,28H,3-4,11-15H2,1-2H3
InChIKeyYDVQQNXZJPVGQM-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.55
Rot. Bonds7

About 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one

6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one (PubChem CID 172851738) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one
PubChem CID172851738
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCc3ccc(F)cc3)c(=O)c(N3CCNCC3)c2C)cc1F
InChIInChI=1S/C25H28F2N4O2/c1-17-23(19-7-10-22(33-2)21(27)16-19)29-31(13-3-4-18-5-8-20(26)9-6-18)25(32)24(17)30-14-11-28-12-15-30/h5-10,16,28H,3-4,11-15H2,1-2H3
InChIKeyYDVQQNXZJPVGQM-UHFFFAOYSA-N
XLogP3.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one with MolForge

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Related Compounds

6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
CID 150946988
2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-5-methyl-4-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 154394710
4-[[bis(2-hydroxyethyl)amino]methyl]-6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]pyridazin-3-one
CID 10140250
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
CID 10157823
[2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
CID 22562309
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
CID 118648269
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
CID 10111611
4-(bromomethyl)-6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 23102902
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18098618
2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 10074092
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
CID 98018148

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one (CID 172851738) is 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one is COc1ccc(-c2nn(CCCc3ccc(F)cc3)c(=O)c(N3CCNCC3)c2C)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one?
The InChIKey is YDVQQNXZJPVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-17-23(19-7-10-22(33-2)21(27)16-19)29-31(13-3-4-18-5-8-20(26)9-6-18)25(32)24(17)30-14-11-28-12-15-30/h5-10,16,28H,3-4,11-15H2,1-2H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one?
6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one has a molecular weight of 454.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 172851738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).