[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone

C22H23FN4O2 — CID 121160936

IUPAC[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
SMILESCc1cc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)nc(C)n1
InChIInChI=1S/C22H23FN4O2/c1-14-11-21(26-15(2)25-14)29-19-7-9-27(10-8-19)22(28)20-12-17(13-24-20)16-3-5-18(23)6-4-16/h3-6,11-13,19,24H,7-10H2,1-2H3
InChIKeyMJJRFHYYJCVTOU-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.91
Rot. Bonds4

About [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone

[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone (PubChem CID 121160936) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
PubChem CID121160936
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
SMILESCc1cc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)nc(C)n1
InChIInChI=1S/C22H23FN4O2/c1-14-11-21(26-15(2)25-14)29-19-7-9-27(10-8-19)22(28)20-12-17(13-24-20)16-3-5-18(23)6-4-16/h3-6,11-13,19,24H,7-10H2,1-2H3
InChIKeyMJJRFHYYJCVTOU-UHFFFAOYSA-N
XLogP3.91
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163177
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 121160983
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636217
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone (CID 121160936) is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone is Cc1cc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)nc(C)n1.
What is the InChIKey of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone?
The InChIKey is MJJRFHYYJCVTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-11-21(26-15(2)25-14)29-19-7-9-27(10-8-19)22(28)20-12-17(13-24-20)16-3-5-18(23)6-4-16/h3-6,11-13,19,24H,7-10H2,1-2H3.
What are the key properties of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone?
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 121160936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).