2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine

C11H13F3N4O — CID 79815424

IUPAC2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCOc1ccc2[nH]c(C(C)(N)C(F)(F)F)nc2n1
InChIInChI=1S/C11H13F3N4O/c1-3-19-7-5-4-6-8(17-7)18-9(16-6)10(2,15)11(12,13)14/h4-5H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyDWLFYXIDBLTLBG-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine

2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79815424) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79815424
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCOc1ccc2[nH]c(C(C)(N)C(F)(F)F)nc2n1
InChIInChI=1S/C11H13F3N4O/c1-3-19-7-5-4-6-8(17-7)18-9(16-6)10(2,15)11(12,13)14/h4-5H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyDWLFYXIDBLTLBG-UHFFFAOYSA-N
XLogP2.09
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine (CID 79815424) is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine is CCOc1ccc2[nH]c(C(C)(N)C(F)(F)F)nc2n1.
What is the InChIKey of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is DWLFYXIDBLTLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-3-19-7-5-4-6-8(17-7)18-9(16-6)10(2,15)11(12,13)14/h4-5H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 274.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79815424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).