N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide

C17H15F3N4O2 — CID 166361359

IUPACN-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESNCCc1ccc(O)c(NC(=O)c2cccn3cc(C(F)(F)F)nc23)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-24-7-1-2-11(15(24)23-14)16(26)22-12-8-10(5-6-21)3-4-13(12)25/h1-4,7-9,25H,5-6,21H2,(H,22,26)
InChIKeyZQAVTXDRJQYBLJ-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.81
Rot. Bonds4

About N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide

N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 166361359) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID166361359
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESNCCc1ccc(O)c(NC(=O)c2cccn3cc(C(F)(F)F)nc23)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-24-7-1-2-11(15(24)23-14)16(26)22-12-8-10(5-6-21)3-4-13(12)25/h1-4,7-9,25H,5-6,21H2,(H,22,26)
InChIKeyZQAVTXDRJQYBLJ-UHFFFAOYSA-N
XLogP2.81
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[5-(2-aminoethyl)-2-hydroxyphenyl]carbamothioic S-acid
CID 143055389
2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704641
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633
2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbonyl]morpholin-3-yl]acetamide
CID 154744896
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 122323335
(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone
CID 138058252
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 166361085
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676
2-methyl-N-(2-propan-2-ylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704657

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 166361359) is N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide is NCCc1ccc(O)c(NC(=O)c2cccn3cc(C(F)(F)F)nc23)c1.
What is the InChIKey of N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is ZQAVTXDRJQYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-24-7-1-2-11(15(24)23-14)16(26)22-12-8-10(5-6-21)3-4-13(12)25/h1-4,7-9,25H,5-6,21H2,(H,22,26).
What are the key properties of N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide?
N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoethyl)-2-hydroxyphenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 166361359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).