6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

C16H12F3N3O3 — CID 139429688

IUPAC6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2ccc(OC(F)(F)F)cc2)ccc2nccn12
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)25-11-3-1-10(2-4-11)9-21-12-5-6-13-20-7-8-22(13)14(12)15(23)24/h1-8,21H,9H2,(H,23,24)
InChIKeyBLGKXIOKKAODRM-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.54
Rot. Bonds5

About 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 139429688) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID139429688
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2ccc(OC(F)(F)F)cc2)ccc2nccn12
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)25-11-3-1-10(2-4-11)9-21-12-5-6-13-20-7-8-22(13)14(12)15(23)24/h1-8,21H,9H2,(H,23,24)
InChIKeyBLGKXIOKKAODRM-UHFFFAOYSA-N
XLogP3.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazole-3-carboxylic acid
CID 164835673
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
6-[[(2E)-3-chloro-4-methyl-2-(1-phosphanylethenyl)penta-2,4-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 145416559
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
(2S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 120510495
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
3-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methylamino]benzoic acid
CID 126645259
N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 110851649

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 139429688) is 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1c(NCc2ccc(OC(F)(F)F)cc2)ccc2nccn12.
What is the InChIKey of 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is BLGKXIOKKAODRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c17-16(18,19)25-11-3-1-10(2-4-11)9-21-12-5-6-13-20-7-8-22(13)14(12)15(23)24/h1-8,21H,9H2,(H,23,24).
What are the key properties of 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 351.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 139429688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).