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

C19H15F3N4O2 — CID 134489973

IUPAC3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)n(C)c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C19H15F3N4O2/c1-11-6-15(24-28-11)10-26-16-8-13(9-23-17(16)25(2)18(26)27)12-4-3-5-14(7-12)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyBWRBBWDKLYUBJM-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.77
Rot. Bonds3

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

3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134489973) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
PubChem CID134489973
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)n(C)c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C19H15F3N4O2/c1-11-6-15(24-28-11)10-26-16-8-13(9-23-17(16)25(2)18(26)27)12-4-3-5-14(7-12)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyBWRBBWDKLYUBJM-UHFFFAOYSA-N
XLogP3.77
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 134490036
2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3-tritylimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 134489911
3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493721
ethyl 2-oxo-6-[3-(trifluoromethyl)phenyl]-3-tritylimidazo[4,5-b]pyridine-1-carboxylate
CID 140869506
1-[2-(azetidin-1-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493724
5-methyl-3-[[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]methyl]-1,2-oxazole
CID 95593600
6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134490022
6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489968
ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
CID 134494024
1-(2-cyclopropyl-2-hydroxyethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493690
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
1-[2-(3-methylpyrrolidin-1-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493578

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (CID 134489973) is 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is Cc1cc(Cn2c(=O)n(C)c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1.
What is the InChIKey of 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is BWRBBWDKLYUBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-6-15(24-28-11)10-26-16-8-13(9-23-17(16)25(2)18(26)27)12-4-3-5-14(7-12)19(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 388.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).