[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

C23H18F2N2O — CID 155937377

IUPAC[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(F)cc2)CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O/c24-19-10-6-16(7-11-19)21-14-15-22(17-8-12-20(25)13-9-17)27(26-21)23(28)18-4-2-1-3-5-18/h1-13,22H,14-15H2/t22-/m1/s1
InChIKeyORERJVGJXAAYFD-JOCHJYFZSA-N
MW376.41 g/mol
LogP5.35
Rot. Bonds3

About [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (PubChem CID 155937377) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
PubChem CID155937377
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(F)cc2)CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O/c24-19-10-6-16(7-11-19)21-14-15-22(17-8-12-20(25)13-9-17)27(26-21)23(28)18-4-2-1-3-5-18/h1-13,22H,14-15H2/t22-/m1/s1
InChIKeyORERJVGJXAAYFD-JOCHJYFZSA-N
XLogP5.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Talastine
CID 65624
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
4-{4-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl}-1,2-dihydrophthalazin-1-one
CID 25218517
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
Flezelastine
CID 60432
3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-5-[4-(phenylformamido)butyl]-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901506

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The IUPAC name of [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (CID 155937377) is [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The InChIKey is ORERJVGJXAAYFD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H18F2N2O/c24-19-10-6-16(7-11-19)21-14-15-22(17-8-12-20(25)13-9-17)27(26-21)23(28)18-4-2-1-3-5-18/h1-13,22H,14-15H2/t22-/m1/s1.
What are the key properties of [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
[(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone has a molecular weight of 376.41 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,6-bis(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is sourced from PubChem (CID 155937377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).