2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

C21H15FN4O2 — CID 134493941

IUPAC2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCOc1cccc(F)c1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C21H15FN4O2/c1-28-18-8-4-7-16(22)19(18)15-9-17-20(24-11-15)25-21(27)26(17)12-14-6-3-2-5-13(14)10-23/h2-9,11H,12H2,1H3,(H,24,25,27)
InChIKeyMENVVUHKNRFZIF-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.46
Rot. Bonds4

About 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (PubChem CID 134493941) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
PubChem CID134493941
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCOc1cccc(F)c1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C21H15FN4O2/c1-28-18-8-4-7-16(22)19(18)15-9-17-20(24-11-15)25-21(27)26(17)12-14-6-3-2-5-13(14)10-23/h2-9,11H,12H2,1H3,(H,24,25,27)
InChIKeyMENVVUHKNRFZIF-UHFFFAOYSA-N
XLogP3.46
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (CID 134493941) is 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is COc1cccc(F)c1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1.
What is the InChIKey of 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is MENVVUHKNRFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-28-18-8-4-7-16(22)19(18)15-9-17-20(24-11-15)25-21(27)26(17)12-14-6-3-2-5-13(14)10-23/h2-9,11H,12H2,1H3,(H,24,25,27).
What are the key properties of 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 374.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-fluoro-6-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 134493941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).