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

C20H12F6N4O — CID 134493617

IUPAC6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)14-3-1-2-12(6-14)13-7-15-17(28-9-13)29-18(31)30(15)10-11-4-5-16(27-8-11)20(24,25)26/h1-9H,10H2,(H,28,29,31)
InChIKeyNKFJSQSVVKJFHG-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.87
Rot. Bonds3

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

6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493617) has the molecular formula C20H12F6N4O and a molecular weight of 438.33 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493617
Molecular FormulaC20H12F6N4O
Molecular Weight438.33 g/mol
Exact Mass438.09
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)14-3-1-2-12(6-14)13-7-15-17(28-9-13)29-18(31)30(15)10-11-4-5-16(27-8-11)20(24,25)26/h1-9H,10H2,(H,28,29,31)
InChIKeyNKFJSQSVVKJFHG-UHFFFAOYSA-N
XLogP4.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493617) is 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is NKFJSQSVVKJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O/c21-19(22,23)14-3-1-2-12(6-14)13-7-15-17(28-9-13)29-18(31)30(15)10-11-4-5-16(27-8-11)20(24,25)26/h1-9H,10H2,(H,28,29,31).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 438.33 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).