1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

C20H22FN5O3 — CID 100629286

IUPAC1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1ccc(O[C@H]2CCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nn1
InChIInChI=1S/C20H22FN5O3/c1-14-6-7-18(23-22-14)29-15-8-9-24(12-15)19(27)13-25-10-11-26(20(25)28)17-5-3-2-4-16(17)21/h2-7,15H,8-13H2,1H3/t15-/m0/s1
InChIKeyCOVPFGZRGGFZSN-HNNXBMFYSA-N
MW399.43 g/mol
LogP1.85
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 100629286) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID100629286
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1ccc(O[C@H]2CCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nn1
InChIInChI=1S/C20H22FN5O3/c1-14-6-7-18(23-22-14)29-15-8-9-24(12-15)19(27)13-25-10-11-26(20(25)28)17-5-3-2-4-16(17)21/h2-7,15H,8-13H2,1H3/t15-/m0/s1
InChIKeyCOVPFGZRGGFZSN-HNNXBMFYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 90638848
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)imidazolidin-2-one
CID 122259063
4-[1-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256987
1-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 100627527
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
CID 122161141
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
5,6-dimethyl-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 100642595

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 100629286) is 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is Cc1ccc(O[C@H]2CCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nn1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is COVPFGZRGGFZSN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-14-6-7-18(23-22-14)29-15-8-9-24(12-15)19(27)13-25-10-11-26(20(25)28)17-5-3-2-4-16(17)21/h2-7,15H,8-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 399.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 100629286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).