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

C19H17F3N4O2 — CID 90469059

IUPAC1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone
SMILESO=C(Cn1cnc2ccc(Oc3ccc(C(F)(F)F)cc3)nc21)N1CCCC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-3-5-14(6-4-13)28-16-8-7-15-18(24-16)26(12-23-15)11-17(27)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2
InChIKeyQCYOJTFSOQBETF-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.86
Rot. Bonds4

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

1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone (PubChem CID 90469059) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone
PubChem CID90469059
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone
SMILESO=C(Cn1cnc2ccc(Oc3ccc(C(F)(F)F)cc3)nc21)N1CCCC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-3-5-14(6-4-13)28-16-8-7-15-18(24-16)26(12-23-15)11-17(27)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2
InChIKeyQCYOJTFSOQBETF-UHFFFAOYSA-N
XLogP3.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 90469124
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone
CID 90468985
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
ethane;2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;4-(trifluoromethyl)phenol
CID 164906069
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
6-(3-chlorophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-N-[3-[4-(trifluoromethyl)phenoxy]propyl]quinazoline-7-carboxamide
CID 156788047
1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone
CID 163319853
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone (CID 90469059) is 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone is O=C(Cn1cnc2ccc(Oc3ccc(C(F)(F)F)cc3)nc21)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone?
The InChIKey is QCYOJTFSOQBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)13-3-5-14(6-4-13)28-16-8-7-15-18(24-16)26(12-23-15)11-17(27)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone?
1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone has a molecular weight of 390.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 90469059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).