1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone

C20H17F3N6O — CID 59001157

IUPAC1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cc(C(C)=O)cnc21
InChIInChI=1S/C20H17F3N6O/c1-3-29-17(27-15-9-13(12(2)30)10-25-19(15)29)11-28-8-7-24-18(28)14-5-4-6-16(26-14)20(21,22)23/h4-10H,3,11H2,1-2H3
InChIKeyFGRYSYVHJFWMDL-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.98
Rot. Bonds5

About 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone

1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone (PubChem CID 59001157) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
PubChem CID59001157
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cc(C(C)=O)cnc21
InChIInChI=1S/C20H17F3N6O/c1-3-29-17(27-15-9-13(12(2)30)10-25-19(15)29)11-28-8-7-24-18(28)14-5-4-6-16(26-14)20(21,22)23/h4-10H,3,11H2,1-2H3
InChIKeyFGRYSYVHJFWMDL-UHFFFAOYSA-N
XLogP3.98
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone?
The IUPAC name of 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone (CID 59001157) is 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone is CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cc(C(C)=O)cnc21.
What is the InChIKey of 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone?
The InChIKey is FGRYSYVHJFWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-3-29-17(27-15-9-13(12(2)30)10-25-19(15)29)11-28-8-7-24-18(28)14-5-4-6-16(26-14)20(21,22)23/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone?
1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone has a molecular weight of 414.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 59001157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).