2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

C19H19FN4O2 — CID 83275831

IUPAC2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccncc21
InChIInChI=1S/C19H19FN4O2/c1-23-17-10-21-8-6-16(17)22-19(23)13-7-9-24(11-13)18(25)12-26-15-4-2-14(20)3-5-15/h2-6,8,10,13H,7,9,11-12H2,1H3
InChIKeyLAQOQXZPISMYAM-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 83275831) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID83275831
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccncc21
InChIInChI=1S/C19H19FN4O2/c1-23-17-10-21-8-6-16(17)22-19(23)13-7-9-24(11-13)18(25)12-26-15-4-2-14(20)3-5-15/h2-6,8,10,13H,7,9,11-12H2,1H3
InChIKeyLAQOQXZPISMYAM-UHFFFAOYSA-N
XLogP2.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 83275829
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 95112578
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
7-[(3S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 125008178
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (CID 83275831) is 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is Cn1c(C2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccncc21.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is LAQOQXZPISMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-23-17-10-21-8-6-16(17)22-19(23)13-7-9-24(11-13)18(25)12-26-15-4-2-14(20)3-5-15/h2-6,8,10,13H,7,9,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 354.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83275831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).