6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one

C21H15F2N3O — CID 141268505

IUPAC6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc[nH]2)c1
InChIInChI=1S/C21H15F2N3O/c22-17-10-16(11-18(23)12-17)20-6-7-21(27)26(25-20)13-14-3-1-4-15(9-14)19-5-2-8-24-19/h1-12,24H,13H2
InChIKeyCENDBSOCYXJKTF-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.23
Rot. Bonds4

About 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 141268505) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
PubChem CID141268505
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc[nH]2)c1
InChIInChI=1S/C21H15F2N3O/c22-17-10-16(11-18(23)12-17)20-6-7-21(27)26(25-20)13-14-3-1-4-15(9-14)19-5-2-8-24-19/h1-12,24H,13H2
InChIKeyCENDBSOCYXJKTF-UHFFFAOYSA-N
XLogP4.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
CID 24830281
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951
6-(3,5-difluorophenyl)-2-[[3-(4H-triazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 159657919
[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]azanium
CID 59484841
6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
ethyl 2-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxylate
CID 25173290
6-(3,5-difluorophenyl)-2-[[3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one
CID 24830121
6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one
CID 59849705
6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
CID 143480962
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
6-(3,5-difluorophenyl)-2-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 59484948

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one (CID 141268505) is 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one is O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc[nH]2)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is CENDBSOCYXJKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-17-10-16(11-18(23)12-17)20-6-7-21(27)26(25-20)13-14-3-1-4-15(9-14)19-5-2-8-24-19/h1-12,24H,13H2.
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 363.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 141268505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).