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

C24H24FN3O3 — CID 16671173

IUPAC6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C24H24FN3O3/c1-31-21-10-4-17(5-11-21)15-24(30)27-14-2-3-20(27)16-28-23(29)13-12-22(26-28)18-6-8-19(25)9-7-18/h4-13,20H,2-3,14-16H2,1H3/t20-/m0/s1
InChIKeyLSCCPOBYBAILRO-FQEVSTJZSA-N
MW421.47 g/mol
LogP3.29
Rot. Bonds6

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

6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 16671173) 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-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID16671173
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C24H24FN3O3/c1-31-21-10-4-17(5-11-21)15-24(30)27-14-2-3-20(27)16-28-23(29)13-12-22(26-28)18-6-8-19(25)9-7-18/h4-13,20H,2-3,14-16H2,1H3/t20-/m0/s1
InChIKeyLSCCPOBYBAILRO-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-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 16671173) is 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is COc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is LSCCPOBYBAILRO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-31-21-10-4-17(5-11-21)15-24(30)27-14-2-3-20(27)16-28-23(29)13-12-22(26-28)18-6-8-19(25)9-7-18/h4-13,20H,2-3,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-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-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 16671173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).