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

C20H19F3N4O — CID 53191130

IUPAC1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H19F3N4O/c1-26-18(25-16-6-3-8-24-19(16)26)14-7-9-27(12-14)17(28)11-13-4-2-5-15(10-13)20(21,22)23/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyLJLOJHFGXSFEFR-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.55
Rot. Bonds3

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

1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 53191130) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID53191130
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H19F3N4O/c1-26-18(25-16-6-3-8-24-19(16)26)14-7-9-27(12-14)17(28)11-13-4-2-5-15(10-13)20(21,22)23/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyLJLOJHFGXSFEFR-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 53191130) is 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cn1c(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LJLOJHFGXSFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-26-18(25-16-6-3-8-24-19(16)26)14-7-9-27(12-14)17(28)11-13-4-2-5-15(10-13)20(21,22)23/h2-6,8,10,14H,7,9,11-12H2,1H3.
What are the key properties of 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 388.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 53191130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).