2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

C23H24FN3O — CID 44540072

IUPAC2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
InChIKeyKTXVIHVCQVKSMA-QGZVFWFLSA-N
MW377.46 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (PubChem CID 44540072) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
PubChem CID44540072
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
InChIKeyKTXVIHVCQVKSMA-QGZVFWFLSA-N
XLogP4.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (CID 44540072) is 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The InChIKey is KTXVIHVCQVKSMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one has a molecular weight of 377.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 44540072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).