6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

C19H17FN4O3 — CID 134493868

IUPAC6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
InChIInChI=1S/C19H17FN4O3/c1-3-26-17-5-4-13(20)8-15(17)12-7-16-18(21-9-12)22-19(25)24(16)10-14-6-11(2)27-23-14/h4-9H,3,10H2,1-2H3,(H,21,22,25)
InChIKeyIIKWRZKOVQGDKX-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.27
Rot. Bonds5

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

6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493868) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493868
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
InChIInChI=1S/C19H17FN4O3/c1-3-26-17-5-4-13(20)8-15(17)12-7-16-18(21-9-12)22-19(25)24(16)10-14-6-11(2)27-23-14/h4-9H,3,10H2,1-2H3,(H,21,22,25)
InChIKeyIIKWRZKOVQGDKX-UHFFFAOYSA-N
XLogP3.27
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493868) is 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1.
What is the InChIKey of 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IIKWRZKOVQGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-3-26-17-5-4-13(20)8-15(17)12-7-16-18(21-9-12)22-19(25)24(16)10-14-6-11(2)27-23-14/h4-9H,3,10H2,1-2H3,(H,21,22,25).
What are the key properties of 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 368.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-5-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).