3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide

C24H24F2N4O3 — CID 90408635

IUPAC3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C24H24F2N4O3/c1-15-6-7-18(27-23(31)17-5-3-4-16(12-17)22(25)26)13-19(15)20-14-21(24(32)29(2)28-20)30-8-10-33-11-9-30/h3-7,12-14,22H,8-11H2,1-2H3,(H,27,31)
InChIKeyGFMHYSFPEQEHTI-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.78
Rot. Bonds5

About 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide

3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide (PubChem CID 90408635) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
PubChem CID90408635
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C24H24F2N4O3/c1-15-6-7-18(27-23(31)17-5-3-4-16(12-17)22(25)26)13-19(15)20-14-21(24(32)29(2)28-20)30-8-10-33-11-9-30/h3-7,12-14,22H,8-11H2,1-2H3,(H,27,31)
InChIKeyGFMHYSFPEQEHTI-UHFFFAOYSA-N
XLogP3.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
N-[4-methyl-3-(4-methyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86298305
N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 90408889
4-[[3,4-difluoro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145955549
4-[[3,4-difluoro-5-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145960349
4-[[3,4-difluoro-5-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145962718
4-[[3,4-difluoro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145972651
3-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
CID 4784122
N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 648380
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-4-methylpiperazine-2,6-dione
CID 18444338
6-(4-fluoro-3-(4-(1-(phenylamino)cyclopentanecarbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 46230373

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide (CID 90408635) is 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide?
The InChIKey is GFMHYSFPEQEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-15-6-7-18(27-23(31)17-5-3-4-16(12-17)22(25)26)13-19(15)20-14-21(24(32)29(2)28-20)30-8-10-33-11-9-30/h3-7,12-14,22H,8-11H2,1-2H3,(H,27,31).
What are the key properties of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide?
3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide has a molecular weight of 454.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 90408635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).