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

C19H16F4N4O2 — CID 134489942

IUPAC1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C19H16F4N4O2/c1-25-17-15(27(18(25)29)10-16(28)26-8-14(20)9-26)6-12(7-24-17)11-3-2-4-13(5-11)19(21,22)23/h2-7,14H,8-10H2,1H3
InChIKeyQTYKGDXOIZZLMC-UHFFFAOYSA-N
MW408.36 g/mol
LogP2.60
Rot. Bonds3

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

1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134489942) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
PubChem CID134489942
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC Name1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C19H16F4N4O2/c1-25-17-15(27(18(25)29)10-16(28)26-8-14(20)9-26)6-12(7-24-17)11-3-2-4-13(5-11)19(21,22)23/h2-7,14H,8-10H2,1H3
InChIKeyQTYKGDXOIZZLMC-UHFFFAOYSA-N
XLogP2.60
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide
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1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
N-[(3R,6S)-1-(2,2-difluoroethyl)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11284233
N-benzyl-N-ethyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582188
N-benzyl-N-(2-fluoroethyl)-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582190
(R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11215322
(R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11421827
N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11495985
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11848964
N-[5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848965
N-[5-(3-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (CID 134489942) is 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CC(F)C2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21.
What is the InChIKey of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is QTYKGDXOIZZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c1-25-17-15(27(18(25)29)10-16(28)26-8-14(20)9-26)6-12(7-24-17)11-3-2-4-13(5-11)19(21,22)23/h2-7,14H,8-10H2,1H3.
What are the key properties of 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 408.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).