2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine

C20H23F3N4O — CID 10408193

IUPAC2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
SMILESCCCC(C)n1c(CC)nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc21
InChIInChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3
InChIKeyBXZCWRQCTQLTEY-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.44
Rot. Bonds6

About 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine

2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine (PubChem CID 10408193) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
PubChem CID10408193
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
SMILESCCCC(C)n1c(CC)nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc21
InChIInChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3
InChIKeyBXZCWRQCTQLTEY-UHFFFAOYSA-N
XLogP5.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine (CID 10408193) is 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine is CCCC(C)n1c(CC)nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc21.
What is the InChIKey of 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is BXZCWRQCTQLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine?
2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 392.43 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 10408193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).