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

C19H19FN4O — CID 53191138

IUPAC2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H19FN4O/c1-23-18(22-16-6-3-8-21-19(16)23)14-7-9-24(12-14)17(25)11-13-4-2-5-15(20)10-13/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyVFZPBKQJLLPKST-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.67
Rot. Bonds3

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

2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 53191138) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID53191138
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H19FN4O/c1-23-18(22-16-6-3-8-21-19(16)23)14-7-9-24(12-14)17(25)11-13-4-2-5-15(20)10-13/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyVFZPBKQJLLPKST-UHFFFAOYSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone (CID 53191138) is 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone is Cn1c(C2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is VFZPBKQJLLPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-23-18(22-16-6-3-8-21-19(16)23)14-7-9-24(12-14)17(25)11-13-4-2-5-15(20)10-13/h2-6,8,10,14H,7,9,11-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 338.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53191138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).