(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C16H16FN3O2 — CID 90638662

IUPAC(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cccc(F)c3)C2)nn1
InChIInChI=1S/C16H16FN3O2/c1-11-5-6-15(19-18-11)22-14-7-8-20(10-14)16(21)12-3-2-4-13(17)9-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyUIRBEJMGMVDAIN-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.22
Rot. Bonds3

About (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90638662) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90638662
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cccc(F)c3)C2)nn1
InChIInChI=1S/C16H16FN3O2/c1-11-5-6-15(19-18-11)22-14-7-8-20(10-14)16(21)12-3-2-4-13(17)9-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyUIRBEJMGMVDAIN-UHFFFAOYSA-N
XLogP2.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
1,3-benzothiazol-6-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625612
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638827
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90638724
(2-methyl-3-nitrophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638679

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 90638662) is (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3cccc(F)c3)C2)nn1.
What is the InChIKey of (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is UIRBEJMGMVDAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-5-6-15(19-18-11)22-14-7-8-20(10-14)16(21)12-3-2-4-13(17)9-12/h2-6,9,14H,7-8,10H2,1H3.
What are the key properties of (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 301.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).