3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C17H13F3N4O3 — CID 25263900

IUPAC3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)O)ccn23)c1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)9-22-16(27)23-12-3-1-2-10(6-12)13-8-21-14-7-11(15(25)26)4-5-24(13)14/h1-8H,9H2,(H,25,26)(H2,22,23,27)
InChIKeyHPUFSFHUEXEGOM-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.38
Rot. Bonds4

About 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 25263900) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID25263900
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)O)ccn23)c1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)9-22-16(27)23-12-3-1-2-10(6-12)13-8-21-14-7-11(15(25)26)4-5-24(13)14/h1-8H,9H2,(H,25,26)(H2,22,23,27)
InChIKeyHPUFSFHUEXEGOM-UHFFFAOYSA-N
XLogP3.38
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 25263900) is 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)O)ccn23)c1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is HPUFSFHUEXEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)9-22-16(27)23-12-3-1-2-10(6-12)13-8-21-14-7-11(15(25)26)4-5-24(13)14/h1-8H,9H2,(H,25,26)(H2,22,23,27).
What are the key properties of 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 378.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 25263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).