4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

C25H19F3N4O4 — CID 44520150

IUPAC4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)cn23)cc1
InChIInChI=1S/C25H19F3N4O4/c26-25(27,28)18-4-1-3-16(11-18)13-29-22(33)19-14-32-20(5-2-6-21(32)31-19)23(34)30-12-15-7-9-17(10-8-15)24(35)36/h1-11,14H,12-13H2,(H,29,33)(H,30,34)(H,35,36)
InChIKeyMNUZOKVZPIWWLP-UHFFFAOYSA-N
MW496.45 g/mol
LogP3.91
Rot. Bonds7

About 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 44520150) has the molecular formula C25H19F3N4O4 and a molecular weight of 496.45 g/mol. Its IUPAC name is 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID44520150
Molecular FormulaC25H19F3N4O4
Molecular Weight496.45 g/mol
Exact Mass496.14
IUPAC Name4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)cn23)cc1
InChIInChI=1S/C25H19F3N4O4/c26-25(27,28)18-4-1-3-16(11-18)13-29-22(33)19-14-32-20(5-2-6-21(32)31-19)23(34)30-12-15-7-9-17(10-8-15)24(35)36/h1-11,14H,12-13H2,(H,29,33)(H,30,34)(H,35,36)
InChIKeyMNUZOKVZPIWWLP-UHFFFAOYSA-N
XLogP3.91
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (CID 44520150) is 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)cn23)cc1.
What is the InChIKey of 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is MNUZOKVZPIWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O4/c26-25(27,28)18-4-1-3-16(11-18)13-29-22(33)19-14-32-20(5-2-6-21(32)31-19)23(34)30-12-15-7-9-17(10-8-15)24(35)36/h1-11,14H,12-13H2,(H,29,33)(H,30,34)(H,35,36).
What are the key properties of 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 496.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 44520150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).