2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C11H11F3N4O — CID 58024803

IUPAC2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nc2ncc(C(=O)NCC(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H11F3N4O/c1-2-8-17-7-3-6(4-15-9(7)18-8)10(19)16-5-11(12,13)14/h3-4H,2,5H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyZWNPBASFMDMPIC-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.81
Rot. Bonds3

About 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 58024803) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID58024803
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nc2ncc(C(=O)NCC(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H11F3N4O/c1-2-8-17-7-3-6(4-15-9(7)18-8)10(19)16-5-11(12,13)14/h3-4H,2,5H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyZWNPBASFMDMPIC-UHFFFAOYSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 58024803) is 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1nc2ncc(C(=O)NCC(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZWNPBASFMDMPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-2-8-17-7-3-6(4-15-9(7)18-8)10(19)16-5-11(12,13)14/h3-4H,2,5H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 58024803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).