5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid

C22H16F3N5O3 — CID 59321177

IUPAC5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(C(=O)O)nc4)ccn23)c1
InChIInChI=1S/C22H16F3N5O3/c23-22(24,25)12-28-21(33)29-16-3-1-2-14(8-16)18-11-27-19-9-13(6-7-30(18)19)15-4-5-17(20(31)32)26-10-15/h1-11H,12H2,(H,31,32)(H2,28,29,33)
InChIKeyHAECEUZLGCCGFN-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.45
Rot. Bonds5

About 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid

5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid (PubChem CID 59321177) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid
PubChem CID59321177
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC Name5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(C(=O)O)nc4)ccn23)c1
InChIInChI=1S/C22H16F3N5O3/c23-22(24,25)12-28-21(33)29-16-3-1-2-14(8-16)18-11-27-19-9-13(6-7-30(18)19)15-4-5-17(20(31)32)26-10-15/h1-11H,12H2,(H,31,32)(H2,28,29,33)
InChIKeyHAECEUZLGCCGFN-UHFFFAOYSA-N
XLogP4.45
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid (CID 59321177) is 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(C(=O)O)nc4)ccn23)c1.
What is the InChIKey of 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid?
The InChIKey is HAECEUZLGCCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c23-22(24,25)12-28-21(33)29-16-3-1-2-14(8-16)18-11-27-19-9-13(6-7-30(18)19)15-4-5-17(20(31)32)26-10-15/h1-11H,12H2,(H,31,32)(H2,28,29,33).
What are the key properties of 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid?
5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid has a molecular weight of 455.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59321177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).