6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one

C23H22FN3O3 — CID 146122143

IUPAC6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1CC(O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3/c24-17-10-8-16(9-11-17)21(28)15-19-7-4-14-26(19)23(30)20-12-13-22(29)27(25-20)18-5-2-1-3-6-18/h1-3,5-6,8-13,19,21,28H,4,7,14-15H2
InChIKeyLPIKLDPSWCXMQA-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.10
Rot. Bonds5

About 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one

6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 146122143) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID146122143
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1CC(O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3/c24-17-10-8-16(9-11-17)21(28)15-19-7-4-14-26(19)23(30)20-12-13-22(29)27(25-20)18-5-2-1-3-6-18/h1-3,5-6,8-13,19,21,28H,4,7,14-15H2
InChIKeyLPIKLDPSWCXMQA-UHFFFAOYSA-N
XLogP3.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367
(6-fluoro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 109389072
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one
CID 56811651
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111472411
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472239
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
(1,5-dimethylpyrazol-3-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472339
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119816948
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2-methylsulfanyl-4-pyridinyl)methanone
CID 111472354

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one (CID 146122143) is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one is O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC1CC(O)c1ccc(F)cc1.
What is the InChIKey of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is LPIKLDPSWCXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-17-10-8-16(9-11-17)21(28)15-19-7-4-14-26(19)23(30)20-12-13-22(29)27(25-20)18-5-2-1-3-6-18/h1-3,5-6,8-13,19,21,28H,4,7,14-15H2.
What are the key properties of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one?
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 407.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 146122143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).