6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one

C22H16F2N4O — CID 68512172

IUPAC6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1
InChIInChI=1S/C22H16F2N4O/c1-14-11-25-22(26-12-14)16-4-2-3-15(7-16)13-28-21(29)6-5-20(27-28)17-8-18(23)10-19(24)9-17/h2-12H,13H2,1H3
InChIKeyXWDNKEHWOTTWBY-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.00
Rot. Bonds4

About 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 68512172) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
PubChem CID68512172
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1
InChIInChI=1S/C22H16F2N4O/c1-14-11-25-22(26-12-14)16-4-2-3-15(7-16)13-28-21(29)6-5-20(27-28)17-8-18(23)10-19(24)9-17/h2-12H,13H2,1H3
InChIKeyXWDNKEHWOTTWBY-UHFFFAOYSA-N
XLogP4.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one with MolForge

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Related Compounds

FK-3453
CID 52939114
5-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-1-ethyl-3-methylpyridin-2(1H)-one
CID 57406717
5-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-1,3-dimethylpyridin-2(1H)-one
CID 57406911
6-(3,5-Difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 59484839
2-[[3-[5-[3-(Dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-(3-fluorophenyl)pyridazin-3-one
CID 68506553
4-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-2-carbonitrile
CID 134522265
6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one
CID 24830764
US11168102, Example 21-4.
CID 156352923
2-[5-ethyl-4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432209
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
CID 162432235
5-(trifluoromethyl)-3-[[3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one
CID 168250112
5-[2-Amino-4-(4-fluorophenyl)pyrimidin-5-yl]-1-propan-2-ylpyridin-2-one
CID 9797330

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one (CID 68512172) is 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one is Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is XWDNKEHWOTTWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-14-11-25-22(26-12-14)16-4-2-3-15(7-16)13-28-21(29)6-5-20(27-28)17-8-18(23)10-19(24)9-17/h2-12H,13H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 390.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 68512172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).