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

C20H21FN4O — CID 53191163

IUPAC1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCn1c(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C20H21FN4O/c1-2-25-19(23-17-4-3-10-22-20(17)25)15-9-11-24(13-15)18(26)12-14-5-7-16(21)8-6-14/h3-8,10,15H,2,9,11-13H2,1H3
InChIKeyUOKWSJHXFDTMND-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.15
Rot. Bonds4

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

1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 53191163) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID53191163
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCn1c(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C20H21FN4O/c1-2-25-19(23-17-4-3-10-22-20(17)25)15-9-11-24(13-15)18(26)12-14-5-7-16(21)8-6-14/h3-8,10,15H,2,9,11-13H2,1H3
InChIKeyUOKWSJHXFDTMND-UHFFFAOYSA-N
XLogP3.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 53191163) is 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is CCn1c(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2cccnc21.
What is the InChIKey of 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is UOKWSJHXFDTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-2-25-19(23-17-4-3-10-22-20(17)25)15-9-11-24(13-15)18(26)12-14-5-7-16(21)8-6-14/h3-8,10,15H,2,9,11-13H2,1H3.
What are the key properties of 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 352.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 53191163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).