[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone

C21H22ClFN2O — CID 56673929

IUPAC[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone
SMILESCc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1
InChIInChI=1S/C21H22ClFN2O/c1-13-8-19(15-6-3-7-16(22)9-15)24-11-18(13)20-10-17(23)12-25(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20H,2,4-5,10,12H2,1H3
InChIKeyBPICUEHAJGKYLS-UHFFFAOYSA-N
MW372.87 g/mol
LogP5.12
Rot. Bonds3

About [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone

[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 56673929) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID56673929
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone
SMILESCc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1
InChIInChI=1S/C21H22ClFN2O/c1-13-8-19(15-6-3-7-16(22)9-15)24-11-18(13)20-10-17(23)12-25(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20H,2,4-5,10,12H2,1H3
InChIKeyBPICUEHAJGKYLS-UHFFFAOYSA-N
XLogP5.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.87
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 56666999
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759520
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95837225
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694390
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid
CID 23323968
[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-piperidin-1-ylcarbamate
CID 122684622

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone (CID 56673929) is [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone is Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is BPICUEHAJGKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c1-13-8-19(15-6-3-7-16(22)9-15)24-11-18(13)20-10-17(23)12-25(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20H,2,4-5,10,12H2,1H3.
What are the key properties of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone?
[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 372.87 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 56673929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).