6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C24H24FN3O3 — CID 16671172

IUPAC6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H24FN3O3/c1-31-22-7-3-2-5-18(22)15-24(30)27-14-4-6-20(27)16-28-23(29)13-12-21(26-28)17-8-10-19(25)11-9-17/h2-3,5,7-13,20H,4,6,14-16H2,1H3/t20-/m0/s1
InChIKeyLYGMMAWRSLKKRD-FQEVSTJZSA-N
MW421.47 g/mol
LogP3.29
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 16671172) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID16671172
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H24FN3O3/c1-31-22-7-3-2-5-18(22)15-24(30)27-14-4-6-20(27)16-28-23(29)13-12-21(26-28)17-8-10-19(25)11-9-17/h2-3,5,7-13,20H,4,6,14-16H2,1H3/t20-/m0/s1
InChIKeyLYGMMAWRSLKKRD-FQEVSTJZSA-N
XLogP3.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 16671172) is 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is COc1ccccc1CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is LYGMMAWRSLKKRD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-31-22-7-3-2-5-18(22)15-24(30)27-14-4-6-20(27)16-28-23(29)13-12-21(26-28)17-8-10-19(25)11-9-17/h2-3,5,7-13,20H,4,6,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 421.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 16671172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).