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

C19H17F3N4O2 — CID 134490113

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C19H17F3N4O2/c1-24-17-15(26(18(24)28)11-16(27)25-6-3-7-25)9-13(10-23-17)12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8-10H,3,6-7,11H2,1H3
InChIKeyARBHFERAFIBOCA-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.65
Rot. Bonds3

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

1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134490113) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
PubChem CID134490113
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C19H17F3N4O2/c1-24-17-15(26(18(24)28)11-16(27)25-6-3-7-25)9-13(10-23-17)12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8-10H,3,6-7,11H2,1H3
InChIKeyARBHFERAFIBOCA-UHFFFAOYSA-N
XLogP2.65
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide
CID 56593154
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
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
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 53474010
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474095
(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
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11225752
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11375693
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (CID 134490113) is 1-[2-(azetidin-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-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is ARBHFERAFIBOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-24-17-15(26(18(24)28)11-16(27)25-6-3-7-25)9-13(10-23-17)12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8-10H,3,6-7,11H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 390.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).