2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

C19H15F3N4O5 — CID 155166651

IUPAC2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29)
InChIKeyDKRWMLVGQMNKLO-UHFFFAOYSA-N
MW436.35 g/mol
LogP2.79
Rot. Bonds4

About 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 155166651) has the molecular formula C19H15F3N4O5 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID155166651
Molecular FormulaC19H15F3N4O5
Molecular Weight436.35 g/mol
Exact Mass436.10
IUPAC Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29)
InChIKeyDKRWMLVGQMNKLO-UHFFFAOYSA-N
XLogP2.79
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 155166651) is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is DKRWMLVGQMNKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 436.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 155166651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).