2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide

C24H26FN5O2 — CID 43992084

IUPAC2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C24H26FN5O2/c1-17(32-21-8-4-6-19(25)16-21)24(31)26-20-7-3-5-18(15-20)22-9-10-23(28-27-22)30-13-11-29(2)12-14-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,31)
InChIKeyFEWPXKJIYFYLGV-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide

2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (PubChem CID 43992084) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
PubChem CID43992084
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C24H26FN5O2/c1-17(32-21-8-4-6-19(25)16-21)24(31)26-20-7-3-5-18(15-20)22-9-10-23(28-27-22)30-13-11-29(2)12-14-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,31)
InChIKeyFEWPXKJIYFYLGV-UHFFFAOYSA-N
XLogP3.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992945
2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991674
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 42109873
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (CID 43992084) is 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The InChIKey is FEWPXKJIYFYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-17(32-21-8-4-6-19(25)16-21)24(31)26-20-7-3-5-18(15-20)22-9-10-23(28-27-22)30-13-11-29(2)12-14-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,31).
What are the key properties of 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide has a molecular weight of 435.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is sourced from PubChem (CID 43992084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).