1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone

C23H23N3O3 — CID 90639146

IUPAC1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
SMILESCOc1ccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)C2)nn1
InChIInChI=1S/C23H23N3O3/c1-28-20-12-13-21(25-24-20)29-19-14-15-26(16-19)23(27)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,22H,14-16H2,1H3
InChIKeyHVNHPWNKUOMNIE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.30
Rot. Bonds6

About 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone

1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone (PubChem CID 90639146) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
PubChem CID90639146
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
SMILESCOc1ccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)C2)nn1
InChIInChI=1S/C23H23N3O3/c1-28-20-12-13-21(25-24-20)29-19-14-15-26(16-19)23(27)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,22H,14-16H2,1H3
InChIKeyHVNHPWNKUOMNIE-UHFFFAOYSA-N
XLogP3.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 91627534

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone (CID 90639146) is 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone is COc1ccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)C2)nn1.
What is the InChIKey of 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone?
The InChIKey is HVNHPWNKUOMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-20-12-13-21(25-24-20)29-19-14-15-26(16-19)23(27)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,22H,14-16H2,1H3.
What are the key properties of 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone?
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone has a molecular weight of 389.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 90639146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).