2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C17H17F3N4O2 — CID 66600647

IUPAC2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H17F3N4O2/c1-3-25-6-7-26-14-10-21-5-4-12(14)15-23-13-8-11(17(18,19)20)9-22-16(13)24(15)2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyUXCSSILRYJZUDV-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.46
Rot. Bonds6

About 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 66600647) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID66600647
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H17F3N4O2/c1-3-25-6-7-26-14-10-21-5-4-12(14)15-23-13-8-11(17(18,19)20)9-22-16(13)24(15)2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyUXCSSILRYJZUDV-UHFFFAOYSA-N
XLogP3.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 66600647) is 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCOCCOc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is UXCSSILRYJZUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-3-25-6-7-26-14-10-21-5-4-12(14)15-23-13-8-11(17(18,19)20)9-22-16(13)24(15)2/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 366.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 66600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).