1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

C19H17F3N4O3 — CID 134493765

IUPAC1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOC1CN(C(=O)Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)C1
InChIInChI=1S/C19H17F3N4O3/c1-29-14-8-25(9-14)16(27)10-26-15-6-12(7-23-17(15)24-18(26)28)11-3-2-4-13(5-11)19(20,21)22/h2-7,14H,8-10H2,1H3,(H,23,24,28)
InChIKeyPTPDSZKFEBUNEZ-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493765) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493765
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOC1CN(C(=O)Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)C1
InChIInChI=1S/C19H17F3N4O3/c1-29-14-8-25(9-14)16(27)10-26-15-6-12(7-23-17(15)24-18(26)28)11-3-2-4-13(5-11)19(20,21)22/h2-7,14H,8-10H2,1H3,(H,23,24,28)
InChIKeyPTPDSZKFEBUNEZ-UHFFFAOYSA-N
XLogP2.27
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
CID 134494024
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753
1-(2-cyclopropyl-2-hydroxyethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493690
1-[2-(3-methylpyrrolidin-1-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493578
1-[2-(azetidin-1-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493724
N-cyclopropyl-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]propanamide
CID 134494048
6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 134493783
2-(2-oxo-6-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-1-yl)acetamide
CID 175230439
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
CID 163362316

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493765) is 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is COC1CN(C(=O)Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)C1.
What is the InChIKey of 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PTPDSZKFEBUNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-29-14-8-25(9-14)16(27)10-26-15-6-12(7-23-17(15)24-18(26)28)11-3-2-4-13(5-11)19(20,21)22/h2-7,14H,8-10H2,1H3,(H,23,24,28).
What are the key properties of 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 406.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyazetidin-1-yl)-2-oxoethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).