N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C16H12F4N4O — CID 166361085

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESNCc1cc(NC(=O)c2cn3cccc(F)c3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N4O/c17-12-2-1-3-24-8-13(23-14(12)24)15(25)22-11-5-9(7-21)4-10(6-11)16(18,19)20/h1-6,8H,7,21H2,(H,22,25)
InChIKeyPHMODNBKLCAMNC-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.20
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166361085) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166361085
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESNCc1cc(NC(=O)c2cn3cccc(F)c3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N4O/c17-12-2-1-3-24-8-13(23-14(12)24)15(25)22-11-5-9(7-21)4-10(6-11)16(18,19)20/h1-6,8H,7,21H2,(H,22,25)
InChIKeyPHMODNBKLCAMNC-UHFFFAOYSA-N
XLogP3.20
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
CID 82529126
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120604735
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
CID 120604907
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120604998
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 120605419
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 120605051
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 167973951
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(triazol-1-yl)propanamide;hydrochloride
CID 120604640

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 166361085) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide is NCc1cc(NC(=O)c2cn3cccc(F)c3n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PHMODNBKLCAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c17-12-2-1-3-24-8-13(23-14(12)24)15(25)22-11-5-9(7-21)4-10(6-11)16(18,19)20/h1-6,8H,7,21H2,(H,22,25).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-8-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166361085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).