N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

C21H14F4N4O2 — CID 71144098

IUPACN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccn2ccnc2c1
InChIInChI=1S/C21H14F4N4O2/c22-16-2-1-8-27-19(16)18(13-3-5-15(6-4-13)31-21(23,24)25)28-20(30)14-7-10-29-11-9-26-17(29)12-14/h1-12,18H,(H,28,30)
InChIKeySTUYVTIMPIRQLK-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.29
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 71144098) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID71144098
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccn2ccnc2c1
InChIInChI=1S/C21H14F4N4O2/c22-16-2-1-8-27-19(16)18(13-3-5-15(6-4-13)31-21(23,24)25)28-20(30)14-7-10-29-11-9-26-17(29)12-14/h1-12,18H,(H,28,30)
InChIKeySTUYVTIMPIRQLK-UHFFFAOYSA-N
XLogP4.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 90217174
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71144093
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 71144596
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpyridine-4-carboxamide
CID 71144025
3-cyano-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 71144558
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
CID 78018918
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71144078
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide
CID 78018870
carbamic acid;N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 71144384
N-[(S)-[4-(fluoromethyl)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 90225802
7-(trifluoromethoxy)imidazo[1,2-a]pyridine
CID 91439341

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 71144098) is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is O=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccn2ccnc2c1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is STUYVTIMPIRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c22-16-2-1-8-27-19(16)18(13-3-5-15(6-4-13)31-21(23,24)25)28-20(30)14-7-10-29-11-9-26-17(29)12-14/h1-12,18H,(H,28,30).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 71144098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).