N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C23H15F7N4O4 — CID 90217174

IUPACN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H14F4N4O2.C2HF3O2/c22-16-2-1-9-27-19(16)18(13-3-6-15(7-4-13)31-21(23,24)25)28-20(30)14-5-8-17-26-10-11-29(17)12-14;3-2(4,5)1(6)7/h1-12,18H,(H,28,30);(H,6,7)
InChIKeyJDQVMHGEMGJVMD-UHFFFAOYSA-N
MW544.38 g/mol
LogP4.92
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90217174) has the molecular formula C23H15F7N4O4 and a molecular weight of 544.38 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90217174
Molecular FormulaC23H15F7N4O4
Molecular Weight544.38 g/mol
Exact Mass544.10
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H14F4N4O2.C2HF3O2/c22-16-2-1-9-27-19(16)18(13-3-6-15(7-4-13)31-21(23,24)25)28-20(30)14-5-8-17-26-10-11-29(17)12-14;3-2(4,5)1(6)7/h1-12,18H,(H,28,30);(H,6,7)
InChIKeyJDQVMHGEMGJVMD-UHFFFAOYSA-N
XLogP4.92
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 90217174) is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC(c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JDQVMHGEMGJVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2.C2HF3O2/c22-16-2-1-9-27-19(16)18(13-3-6-15(7-4-13)31-21(23,24)25)28-20(30)14-5-8-17-26-10-11-29(17)12-14;3-2(4,5)1(6)7/h1-12,18H,(H,28,30);(H,6,7).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 544.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90217174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).