6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one

C22H23N3O2 — CID 96558044

IUPAC6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(CN2CC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-19(21)20-11-12-22(26)25(23-20)16-24-14-13-18(15-24)17-7-3-2-4-8-17/h2-12,18H,13-16H2,1H3/t18-/m0/s1
InChIKeyYSDLQGPAJJEORG-SFHVURJKSA-N
MW361.45 g/mol
LogP3.37
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one

6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one (PubChem CID 96558044) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
PubChem CID96558044
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(CN2CC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-19(21)20-11-12-22(26)25(23-20)16-24-14-13-18(15-24)17-7-3-2-4-8-17/h2-12,18H,13-16H2,1H3/t18-/m0/s1
InChIKeyYSDLQGPAJJEORG-SFHVURJKSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylsulfanylphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
CID 96557622
6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7662869
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-[(3-phenylpyrrolidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-3-one
CID 71705017
N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 121050752
2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 11280723
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
2-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 146079070
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
3-[(3S)-3-phenylpyrrolidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 1145568

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one (CID 96558044) is 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one is COc1ccccc1-c1ccc(=O)n(CN2CC[C@H](c3ccccc3)C2)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one?
The InChIKey is YSDLQGPAJJEORG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-19(21)20-11-12-22(26)25(23-20)16-24-14-13-18(15-24)17-7-3-2-4-8-17/h2-12,18H,13-16H2,1H3/t18-/m0/s1.
What are the key properties of 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one?
6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 96558044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).